 Entering Gaussian System, Link 0=g16
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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                  8.279540D+00          -1.036900D-01
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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            S    20   1.00
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                  1.349768D+05          -8.570592D-06
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                  1.340980D-01           2.865866D-01
                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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                  1.340980D-01           1.971989D+00
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            S    1   1.00
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            ****
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                  1.409320D+00           3.573010D-01
                  5.488580D-01           2.645780D-01
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            D    8   1.00
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
                  1.983350D+05          -2.197572D-05
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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                  1.331400D+00          -1.187120D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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                  4.474270D+03          -6.208000D-04
                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
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                  1.750446D+00           2.750453D-01
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                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
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            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.2267020              0.3908730
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            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
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            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
                  0.0348540              1.0000000
            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
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            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
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            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
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                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
                  7.1390600              0.0546710
                  1.8300700             -0.1661610
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            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/scratch/9104157/Gau-22045.inp" -scrdir="/scratch/9104157/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     22065.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                27-Jan-2022 
 ******************************************
 %rwf=29_neopentane_conformer09_wB97XD_augccpVDZ
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=29_neopentane_conformer09_wB97XD_augccpVDZ
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120,Tight) Pol
 ar=ROA Guess=Read CPHF=RdFreq
 ----------------------------------------------------------------------
 1/38=1,83=21,172=1/1;
 2/12=2,17=6,18=5,40=1/2;
 3/5=7,11=2,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,32=2,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Jan 27 11:49:48 2022, MaxMem=  5368709120 cpu:               0.2 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Symbolic Z-matrix:
 Charge =  0 Multiplicity = 1
 C                    -0.00002   0.00003  -0.00004 
 C                     1.15502   0.32368  -0.95514 
 C                    -0.98677  -0.94679  -0.69353 
 C                    -0.7217    1.2963    0.38711 
 C                     0.55346  -0.67319   1.26155 
 H                     0.78831   0.80512  -1.86467 
 H(Iso=2)              1.68779  -0.58415  -1.24761 
 H                     1.87461   0.99823  -0.48536 
 H(Iso=2)             -1.39696  -0.49152  -1.59796 
 H(Iso=2)             -1.82196  -1.19399  -0.03408 
 H(Iso=2)             -0.498    -1.88082  -0.98025 
 H                    -1.12694   1.79763  -0.49491 
 H                    -0.0404    1.99071   0.88422 
 H                    -1.55113   1.09438   1.06887 
 H(Iso=2)              1.07404  -1.60128   1.01424 
 H(Iso=2)             -0.24997  -0.91551   1.96107 
 H                     1.26069  -0.01899   1.77668 
 
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     17 NQM=       17 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12           1           2           1           2           2
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   2.0141018   1.0078250   2.0141018   2.0141018
 NucSpn=           0           0           0           0           0           1           2           1           2           2
 AtZEff=  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.2860000   0.0000000   0.2860000   0.2860000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   0.8574380   2.7928460   0.8574380   0.8574380
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17
 IAtWgt=           2           1           1           1           2           2           1
 AtmWgt=   2.0141018   1.0078250   1.0078250   1.0078250   2.0141018   2.0141018   1.0078250
 NucSpn=           2           1           1           1           2           2           1
 AtZEff=  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000
 NQMom=    0.2860000   0.0000000   0.0000000   0.0000000   0.2860000   0.2860000   0.0000000
 NMagM=    0.8574380   2.7928460   2.7928460   2.7928460   0.8574380   0.8574380   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Jan 27 11:49:48 2022, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.000018    0.000032   -0.000037
      2          6           0        1.155022    0.323679   -0.955136
      3          6           0       -0.986772   -0.946789   -0.693528
      4          6           0       -0.721704    1.296298    0.387111
      5          6           0        0.553456   -0.673191    1.261549
      6          1           0        0.788307    0.805116   -1.864672
      7          1           0        1.687788   -0.584146   -1.247607
      8          1           0        1.874611    0.998230   -0.485358
      9          1           0       -1.396955   -0.491517   -1.597957
     10          1           0       -1.821960   -1.193991   -0.034081
     11          1           0       -0.497996   -1.880817   -0.980249
     12          1           0       -1.126942    1.797626   -0.494914
     13          1           0       -0.040399    1.990713    0.884223
     14          1           0       -1.551128    1.094379    1.068868
     15          1           0        1.074043   -1.601281    1.014241
     16          1           0       -0.249965   -0.915510    1.961070
     17          1           0        1.260692   -0.018986    1.776681
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.533323   0.000000
     3  C    1.533324   2.503959   0.000000
     4  C    1.533304   2.503940   2.503893   0.000000
     5  C    1.533350   2.503862   2.503894   2.503909   0.000000
     6  H    2.178642   1.092482   2.755296   2.755344   3.466094
     7  H    2.178620   1.092486   2.755319   3.466125   2.755087
     8  H    2.178571   1.092483   3.466114   2.755158   2.755138
     9  H    2.178624   2.755059   1.092481   2.755493   3.466105
    10  H    2.178606   3.466134   1.092483   2.754906   2.755447
    11  H    2.178621   2.755522   1.092483   3.466090   2.754917
    12  H    2.178579   2.755301   2.755160   1.092481   3.466098
    13  H    2.178614   2.755227   3.466098   1.092478   2.755254
    14  H    2.178554   3.466096   2.755160   1.092478   2.755123
    15  H    2.178662   2.755082   2.755321   3.466116   1.092485
    16  H    2.178677   3.466098   2.755132   2.755355   1.092490
    17  H    2.178641   2.755251   3.466099   2.755135   1.092487
                    6          7          8          9         10
     6  H    0.000000
     7  H    1.766319   0.000000
     8  H    1.766312   1.766307   0.000000
     9  H    2.554949   3.105956   3.763026   0.000000
    10  H    3.763109   3.763361   4.321356   1.766298   0.000000
    11  H    3.106608   2.555482   3.763388   1.766308   1.766308
    12  H    2.555287   3.763255   3.106195   2.555345   3.105671
    13  H    3.106255   3.763141   2.555003   3.763367   3.762922
    14  H    3.763281   4.321352   3.763051   3.106572   2.554698
    15  H    3.763048   2.554839   3.105988   3.763109   3.106718
    16  H    4.321442   3.763017   3.763141   3.763247   2.555259
    17  H    3.763209   3.106145   2.555082   4.321407   3.763275
                   11         12         13         14         15
    11  H    0.000000
    12  H    3.763252   0.000000
    13  H    4.321388   1.766317   0.000000
    14  H    3.762945   1.766325   1.766299   0.000000
    15  H    2.554885   4.321395   3.763151   3.763122   0.000000
    16  H    3.105591   3.763250   3.106388   2.555133   1.766285
    17  H    3.762986   3.763113   2.555036   3.105948   1.766298
                   16         17
    16  H    0.000000
    17  H    1.766307   0.000000
 Stoichiometry    C5H12
 Framework group  C1[X(C5H12)]
 Deg. of freedom    45
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.000018    0.000032   -0.000037
      2          6           0        1.157465    0.323628   -0.952192
      3          6           0       -0.987432   -0.943042   -0.697682
      4          6           0       -0.719745    1.296836    0.388951
      5          6           0        0.549714   -0.677425    1.260918
      6          1           0        0.793439    0.808051   -1.861223
      7          1           0        1.688898   -0.584578   -1.245901
      8          1           0        1.877569    0.995535   -0.479424
      9          1           0       -1.394989   -0.484706   -1.601750
     10          1           0       -1.824355   -1.190130   -0.040396
     11          1           0       -0.500053   -1.877374   -0.985787
     12          1           0       -1.122304    1.801163   -0.492591
     13          1           0       -0.037934    1.988619    0.889031
     14          1           0       -1.550852    1.094964    1.068669
     15          1           0        1.068843   -1.605982    1.012300
     16          1           0       -0.255507   -0.919795    1.958349
     17          1           0        1.257339   -0.025950    1.778967
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.8800948           3.8223536           3.7673546
 Leave Link  202 at Thu Jan 27 11:49:48 2022, MaxMem=  5368709120 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       6      7      8      9     10     11     12     13     14     15
 Centers:      16     17
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  15 primitive shells out of 236 were deleted.
 There are   233 symmetry adapted cartesian basis functions of A   symmetry.
 There are   223 symmetry adapted basis functions of A   symmetry.
   223 basis functions,   379 primitive gaussians,   233 cartesian basis functions
    21 alpha electrons       21 beta electrons
       nuclear repulsion energy       198.5943013625 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   17 NActive=   17 NUniq=   17 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0103222736 Hartrees.
 Nuclear repulsion after empirical dispersion term =      198.5839790889 Hartrees.
 Leave Link  301 at Thu Jan 27 11:49:49 2022, MaxMem=  5368709120 cpu:               6.1 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   223 RedAO= T EigKep=  1.12D-05  NBF=   223
 NBsUse=   223 1.00D-06 EigRej= -1.00D+00 NBFU=   223
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   233   233   233   233   233 MxSgAt=    17 MxSgA2=    17.
 Leave Link  302 at Thu Jan 27 11:49:49 2022, MaxMem=  5368709120 cpu:               1.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Jan 27 11:49:50 2022, MaxMem=  5368709120 cpu:               0.2 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "29_neopentane_conformer09_wB97XD_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Jan 27 11:49:50 2022, MaxMem=  5368709120 cpu:               1.0 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368596253 LenY=  5368541523
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -197.729707038344    
 DIIS: error= 2.84D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -197.729707038344     IErMin= 1 ErrMin= 2.84D-03
 ErrMax= 2.84D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.22D-03 BMatP= 2.22D-03
 IDIUse=3 WtCom= 9.72D-01 WtEn= 2.84D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.498 Goal=   None    Shift=    0.000
 GapD=    0.498 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=1.19D-02 MaxDP=1.81D+00              OVMax= 9.92D-03

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.05D-02    CP:  1.20D+00
 E= -197.731743319105     Delta-E=       -0.002036280761 Rises=F Damp=F
 DIIS: error= 3.37D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -197.731743319105     IErMin= 2 ErrMin= 3.37D-04
 ErrMax= 3.37D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.49D-05 BMatP= 2.22D-03
 IDIUse=3 WtCom= 9.97D-01 WtEn= 3.37D-03
 Coeff-Com: -0.722D-01 0.107D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.720D-01 0.107D+01
 Gap=     0.435 Goal=   None    Shift=    0.000
 RMSDP=1.36D-03 MaxDP=2.02D-01 DE=-2.04D-03 OVMax= 1.93D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  3.47D-04    CP:  1.23D+00  1.11D+00
 E= -197.731792996861     Delta-E=       -0.000049677756 Rises=F Damp=F
 DIIS: error= 2.61D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -197.731792996861     IErMin= 3 ErrMin= 2.61D-04
 ErrMax= 2.61D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.06D-06 BMatP= 3.49D-05
 IDIUse=3 WtCom= 9.97D-01 WtEn= 2.61D-03
 Coeff-Com: -0.262D-01 0.303D+00 0.723D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.261D-01 0.303D+00 0.723D+00
 Gap=     0.436 Goal=   None    Shift=    0.000
 RMSDP=8.23D-05 MaxDP=9.94D-03 DE=-4.97D-05 OVMax= 8.07D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  3.58D-05    CP:  1.23D+00  1.11D+00  1.06D+00
 E= -197.731799508716     Delta-E=       -0.000006511855 Rises=F Damp=F
 DIIS: error= 7.40D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -197.731799508716     IErMin= 4 ErrMin= 7.40D-05
 ErrMax= 7.40D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.02D-06 BMatP= 6.06D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.122D-02-0.597D-01 0.242D+00 0.816D+00
 Coeff:      0.122D-02-0.597D-01 0.242D+00 0.816D+00
 Gap=     0.436 Goal=   None    Shift=    0.000
 RMSDP=3.22D-05 MaxDP=1.14D-03 DE=-6.51D-06 OVMax= 1.86D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.35D-05    CP:  1.23D+00  1.12D+00  1.14D+00  1.01D+00
 E= -197.731800596880     Delta-E=       -0.000001088164 Rises=F Damp=F
 DIIS: error= 1.36D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -197.731800596880     IErMin= 5 ErrMin= 1.36D-05
 ErrMax= 1.36D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.19D-08 BMatP= 1.02D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.157D-02-0.299D-01 0.308D-01 0.184D+00 0.813D+00
 Coeff:      0.157D-02-0.299D-01 0.308D-01 0.184D+00 0.813D+00
 Gap=     0.436 Goal=   None    Shift=    0.000
 RMSDP=5.65D-06 MaxDP=2.41D-04 DE=-1.09D-06 OVMax= 4.32D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  3.82D-06    CP:  1.23D+00  1.12D+00  1.15D+00  1.02D+00  1.10D+00
 E= -197.731800619123     Delta-E=       -0.000000022243 Rises=F Damp=F
 DIIS: error= 4.15D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -197.731800619123     IErMin= 6 ErrMin= 4.15D-06
 ErrMax= 4.15D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.35D-09 BMatP= 2.19D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.351D-03-0.434D-02-0.366D-02 0.452D-02 0.257D+00 0.746D+00
 Coeff:      0.351D-03-0.434D-02-0.366D-02 0.452D-02 0.257D+00 0.746D+00
 Gap=     0.436 Goal=   None    Shift=    0.000
 RMSDP=1.46D-06 MaxDP=1.75D-04 DE=-2.22D-08 OVMax= 1.45D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  7.67D-07    CP:  1.23D+00  1.12D+00  1.15D+00  1.03D+00  1.14D+00
                    CP:  1.06D+00
 E= -197.731800621757     Delta-E=       -0.000000002634 Rises=F Damp=F
 DIIS: error= 5.11D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -197.731800621757     IErMin= 7 ErrMin= 5.11D-07
 ErrMax= 5.11D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.36D-11 BMatP= 2.35D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.865D-04 0.171D-02-0.216D-02-0.127D-01-0.544D-01 0.218D-01
 Coeff-Com:  0.105D+01
 Coeff:     -0.865D-04 0.171D-02-0.216D-02-0.127D-01-0.544D-01 0.218D-01
 Coeff:      0.105D+01
 Gap=     0.436 Goal=   None    Shift=    0.000
 RMSDP=5.30D-07 MaxDP=3.52D-05 DE=-2.63D-09 OVMax= 3.69D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.38D-07    CP:  1.23D+00  1.11D+00  1.15D+00  1.03D+00  1.15D+00
                    CP:  1.14D+00  1.29D+00
 E= -197.731800621855     Delta-E=       -0.000000000099 Rises=F Damp=F
 DIIS: error= 4.94D-08 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -197.731800621855     IErMin= 8 ErrMin= 4.94D-08
 ErrMax= 4.94D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.59D-13 BMatP= 5.36D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.934D-05-0.228D-03 0.398D-03 0.211D-02 0.620D-02-0.102D-01
 Coeff-Com: -0.204D+00 0.121D+01
 Coeff:      0.934D-05-0.228D-03 0.398D-03 0.211D-02 0.620D-02-0.102D-01
 Coeff:     -0.204D+00 0.121D+01
 Gap=     0.436 Goal=   None    Shift=    0.000
 RMSDP=1.17D-07 MaxDP=1.43D-05 DE=-9.88D-11 OVMax= 5.58D-07

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.46D-08    CP:  1.23D+00  1.12D+00  1.15D+00  1.03D+00  1.15D+00
                    CP:  1.15D+00  1.35D+00  1.20D+00
 E= -197.731800621854     Delta-E=        0.000000000002 Rises=F Damp=F
 DIIS: error= 3.36D-09 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 8 EnMin= -197.731800621855     IErMin= 9 ErrMin= 3.36D-09
 ErrMax= 3.36D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.42D-15 BMatP= 3.59D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.111D-05 0.302D-04-0.616D-04-0.293D-03-0.746D-03 0.193D-02
 Coeff-Com:  0.296D-01-0.222D+00 0.119D+01
 Coeff:     -0.111D-05 0.302D-04-0.616D-04-0.293D-03-0.746D-03 0.193D-02
 Coeff:      0.296D-01-0.222D+00 0.119D+01
 Gap=     0.436 Goal=   None    Shift=    0.000
 RMSDP=8.87D-09 MaxDP=6.88D-07 DE= 1.65D-12 OVMax= 3.74D-08

 SCF Done:  E(RwB97XD) =  -197.731800622     A.U. after    9 cycles
            NFock=  9  Conv=0.89D-08     -V/T= 2.0074
 KE= 1.962704179569D+02 PE=-8.537211270461D+02 EE= 2.611349293784D+02
 Leave Link  502 at Thu Jan 27 11:50:26 2022, MaxMem=  5368709120 cpu:             290.8 elap:              36.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   223
 NBasis=   223 NAE=    21 NBE=    21 NFC=     0 NFV=     0
 NROrb=    223 NOA=    21 NOB=    21 NVA=   202 NVB=   202

 **** Warning!!: The largest alpha MO coefficient is  0.10826510D+03

 Leave Link  801 at Thu Jan 27 11:50:26 2022, MaxMem=  5368709120 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5270 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          17
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 7.07D-14 8.33D-09 XBig12= 1.00D+00 1.84D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 7.07D-14 8.33D-09 XBig12= 8.81D-02 6.82D-02.
     11 vectors produced by pass  2 Test12= 7.07D-14 8.33D-09 XBig12= 1.00D-02 2.07D-02.
     11 vectors produced by pass  3 Test12= 7.07D-14 8.33D-09 XBig12= 1.00D-03 9.36D-03.
     11 vectors produced by pass  4 Test12= 7.07D-14 8.33D-09 XBig12= 2.52D-05 1.70D-03.
     11 vectors produced by pass  5 Test12= 7.07D-14 8.33D-09 XBig12= 2.20D-07 1.48D-04.
     11 vectors produced by pass  6 Test12= 7.07D-14 8.33D-09 XBig12= 4.59D-09 1.77D-05.
     11 vectors produced by pass  7 Test12= 7.07D-14 8.33D-09 XBig12= 5.98D-11 1.92D-06.
      8 vectors produced by pass  8 Test12= 7.07D-14 8.33D-09 XBig12= 5.95D-13 1.44D-07.
      3 vectors produced by pass  9 Test12= 7.07D-14 8.33D-09 XBig12= 8.74D-15 1.31D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.49D-14
 Solved reduced A of dimension    99 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.666948D+02
      2  0.234213D-02  0.666917D+02
      3  0.458824D-02  0.453846D-02  0.667046D+02
 Isotropic polarizability for W=    0.085645       66.70 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.384324D+00  0.154415D-01  0.136442D+01
      2   0.171805D+01 -0.107100D+01 -0.503628D+00
      3  -0.133372D+01  0.105556D+01 -0.860795D+00
      4   0.183574D-01  0.173672D+01  0.183773D+01
      5   0.137557D+01  0.184029D+01 -0.130425D+01
      6   0.184708D+01 -0.499430D+00  0.105606D+01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.486700D-03 -0.773184D-02 -0.587832D-02
      2   0.512323D-02  0.126558D-02  0.986928D-02
      3  -0.336993D-02 -0.257333D-02 -0.770228D-03
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.255946D-02  0.419834D-02 -0.502057D-03
      2  -0.111443D-01 -0.935027D-02  0.294718D-01
      3   0.291590D-02 -0.186762D-01  0.679082D-02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.887539D-03 -0.216097D-03  0.261379D-02
      2  -0.216097D-03 -0.296603D-02 -0.474538D-03
      3   0.261379D-02 -0.474538D-03  0.208714D-02
 OR G Eigenvalues:    -0.0030    -0.0012     0.0042  Iso=    -0.0000
 Eigenvectors:
   (1)  -0.010590   0.995124   0.098066
   (2)   0.784377   0.069094  -0.616424
   (3)   0.620194  -0.070393   0.781284
 w=    0.085645 a.u., Optical Rotation Beta=     -0.0000 au.
 Molar Mass =     72.1498 grams/mole, [Alpha] ( 5320.0 A) =       -0.00 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   24976 ScalPx= 2.15D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   24976 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.72D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.18D-14 2.78D-09 XBig12= 1.00D+00 4.75D-01.
     30 vectors produced by pass  1 Test12= 1.18D-14 2.78D-09 XBig12= 5.26D-03 1.74D-02.
     30 vectors produced by pass  2 Test12= 1.18D-14 2.78D-09 XBig12= 5.99D-04 5.14D-03.
     30 vectors produced by pass  3 Test12= 1.18D-14 2.78D-09 XBig12= 8.23D-06 6.07D-04.
     30 vectors produced by pass  4 Test12= 1.18D-14 2.78D-09 XBig12= 1.68D-07 8.34D-05.
     30 vectors produced by pass  5 Test12= 1.18D-14 2.78D-09 XBig12= 2.72D-09 1.23D-05.
     30 vectors produced by pass  6 Test12= 1.18D-14 2.78D-09 XBig12= 7.56D-12 6.27D-07.
     15 vectors produced by pass  7 Test12= 1.18D-14 2.78D-09 XBig12= 3.36D-14 4.24D-08.
      2 vectors produced by pass  8 Test12= 1.18D-14 2.78D-09 XBig12= 2.68D-16 3.61D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   227 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   24976 ScalPx= 6.63D+02
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   24976 ScalPx= 6.63D+02
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   24976 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 6.83D+02
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.666948D+02  0.234213D-02  0.458824D-02
      2   0.234213D-02  0.666917D+02  0.453846D-02
      3   0.458824D-02  0.453846D-02  0.667046D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.486700D-03 -0.773184D-02 -0.587832D-02
      2   0.512323D-02  0.126558D-02  0.986928D-02
      3  -0.336993D-02 -0.257333D-02 -0.770228D-03
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.384324D+00  0.154415D-01  0.136442D+01
      2   0.171805D+01 -0.107100D+01 -0.503628D+00
      3  -0.133372D+01  0.105556D+01 -0.860795D+00
      4   0.183574D-01  0.173672D+01  0.183773D+01
      5   0.137557D+01  0.184029D+01 -0.130425D+01
      6   0.184708D+01 -0.499430D+00  0.105606D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    51 ND12= 1 LenFil=    1839:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.108789D+01  0.568202D-01  0.407915D+01  0.801932D-01  0.507794D+01
      2   0.568202D-01  0.506280D+01  0.540994D+01  0.507794D+01 -0.313915D+01
      3   0.407915D+01  0.540994D+01 -0.387633D+01  0.542558D+01 -0.152585D+01
                 6             7             8             9            10 
      1   0.542558D+01  0.402948D+01  0.544785D+01 -0.396178D+01 -0.633864D+00
      2  -0.152585D+01  0.544785D+01 -0.156388D+01  0.309413D+01 -0.504709D-01
      3   0.314399D+01 -0.396178D+01  0.309413D+01 -0.259597D+01 -0.278552D+01
                11            12            13            14            15 
      1  -0.504709D-01 -0.278552D+01  0.205339D+00 -0.464917D+01 -0.405064D+01
      2  -0.363186D+01 -0.406433D+01 -0.464917D+01  0.150736D+01  0.196619D+01
      3  -0.406433D+01  0.334967D+01 -0.405064D+01  0.196619D+01 -0.203572D+01
                16            17            18            19            20 
      1  -0.365616D+01 -0.404029D+01  0.235146D+01  0.224266D+01  0.260100D+00
      2  -0.404029D+01  0.110291D+01 -0.228245D+01  0.260100D+00 -0.408282D+01
      3   0.235146D+01 -0.228245D+01  0.321925D+01 -0.264515D+01 -0.429030D+01
                21            22            23            24            25 
      1  -0.264515D+01 -0.583622D+00 -0.317660D+01 -0.429129D+01 -0.321217D+01
      2  -0.429030D+01 -0.317660D+01  0.365261D+01  0.132886D+01 -0.424234D+01
      3   0.254062D+01 -0.429129D+01  0.132886D+01 -0.240399D+01  0.342482D+01
                26            27            28            29            30 
      1  -0.424234D+01  0.342482D+01  0.209466D+01 -0.879173D+00 -0.309877D+01
      2   0.695789D+00 -0.152915D+01 -0.879173D+00 -0.430889D+01 -0.406627D+01
      3  -0.152915D+01  0.307519D+01 -0.309877D+01 -0.406627D+01  0.278540D+01
                31            32            33            34            35 
      1   0.256348D+00 -0.368136D+01 -0.407214D+01 -0.269913D+01 -0.407513D+01
      2  -0.368136D+01  0.943753D+00  0.114947D+01 -0.407513D+01  0.153078D+01
      3  -0.407214D+01  0.114947D+01 -0.222567D+01  0.340409D+01 -0.332913D+01
                36            37            38            39            40 
      1   0.340409D+01 -0.323320D+00  0.505273D+00 -0.387457D+01 -0.111750D+00
      2  -0.332913D+01  0.505273D+00 -0.346522D+01 -0.414225D+01 -0.393623D+01
      3   0.100803D+01 -0.387457D+01 -0.414225D+01  0.328086D+01 -0.416652D+01
                41            42            43            44            45 
      1  -0.393623D+01 -0.416652D+01 -0.269557D+01 -0.413305D+01  0.284405D+01
      2   0.345152D+01  0.212722D+00 -0.413305D+01  0.132490D+01 -0.226770D+01
      3   0.212722D+00 -0.290765D+01  0.284405D+01 -0.226770D+01  0.550588D+00
                46            47            48            49            50 
      1  -0.687018D+00  0.433804D+00 -0.611331D+00  0.726780D+00  0.274592D+00
      2   0.433804D+00 -0.545752D+00  0.103644D+01  0.274592D+00  0.185118D+01
      3  -0.611331D+00  0.103644D+01 -0.224685D+01  0.366813D+00 -0.208472D+01
                51            52            53            54            55 
      1   0.366813D+00 -0.105814D+01  0.406833D+00 -0.346521D+00  0.318952D+01
      2  -0.208472D+01  0.406833D+00 -0.208418D+01  0.253544D+01 -0.178076D+01
      3   0.283933D+01 -0.346521D+00  0.253544D+01 -0.703932D+01 -0.102456D+01
                56            57            58            59            60 
      1  -0.178076D+01 -0.102456D+01 -0.328432D+01  0.282384D+01  0.176428D+01
      2   0.214342D+01  0.104008D+01  0.282384D+01 -0.447461D+01 -0.173217D+01
      3   0.104008D+01  0.880455D+00  0.176428D+01 -0.173217D+01 -0.193063D+01
                61            62            63            64            65 
      1  -0.690804D+00  0.958070D+00  0.902531D+00  0.495372D+01  0.238656D+01
      2   0.958070D+00 -0.111496D+01 -0.877203D+00  0.238656D+01  0.244410D+01
      3   0.902531D+00 -0.877203D+00 -0.170073D+01  0.832902D+00  0.728508D+00
                66            67            68            69            70 
      1   0.832902D+00  0.309082D+01  0.280913D+01  0.676953D+00  0.250282D+01
      2   0.728508D+00  0.280913D+01  0.306988D+01  0.370105D+00  0.143159D+01
      3   0.853655D+00  0.676953D+00  0.370105D+00  0.122875D+01  0.791427D+00
                71            72            73            74            75 
      1   0.143159D+01  0.791427D+00 -0.227347D+01  0.295492D+00 -0.159395D+01
      2   0.132177D+01  0.967999D+00  0.295492D+00 -0.283970D+00  0.655179D+00
      3   0.967999D+00  0.896198D+00 -0.159395D+01  0.655179D+00 -0.222425D+01
                76            77            78            79            80 
      1   0.137360D+01 -0.331940D+00  0.141128D+01 -0.218098D+01  0.590389D+00
      2  -0.331940D+00  0.824455D+00 -0.117653D+01  0.590389D+00 -0.145829D+01
      3   0.141128D+01 -0.117653D+01  0.244800D+01 -0.289806D+01  0.894354D+00
                81            82            83            84            85 
      1  -0.289806D+01 -0.612255D+01 -0.191864D+01  0.190079D+01 -0.120552D+01
      2   0.894354D+00 -0.191864D+01 -0.139798D+01  0.849627D+00 -0.104649D+01
      3  -0.640017D+01  0.190079D+01  0.849627D+00 -0.194366D+01  0.776220D+00
                86            87            88            89            90 
      1  -0.104649D+01  0.776220D+00  0.355432D+01  0.152213D+01 -0.204214D+01
      2  -0.153022D+01  0.438809D+00  0.152213D+01  0.137305D+01 -0.613963D+00
      3   0.438809D+00 -0.320469D+00 -0.204214D+01 -0.613963D+00  0.186642D+01
                91            92            93            94            95 
      1   0.103310D+01 -0.119435D+01 -0.215050D+00 -0.144431D+01  0.114657D+01
      2  -0.119435D+01  0.308185D+01  0.123175D+01  0.114657D+01 -0.740618D+01
      3  -0.215050D+00  0.123175D+01  0.821171D+00  0.549606D+00 -0.216332D+01
                96            97            98            99           100 
      1   0.549606D+00 -0.179611D+00  0.582394D+00 -0.271910D-02 -0.200261D+01
      2  -0.216332D+01  0.582394D+00 -0.166488D+01 -0.132480D+01  0.139488D+01
      3  -0.161374D+01 -0.271910D-02 -0.132480D+01 -0.150254D+01 -0.938060D+00
               101           102           103           104           105 
      1   0.139488D+01 -0.938060D+00  0.112958D+01 -0.101322D+01  0.106546D+01
      2  -0.109116D+01  0.111810D+01 -0.101322D+01  0.302240D+01 -0.173472D+01
      3   0.111810D+01 -0.152522D+01  0.106546D+01 -0.173472D+01  0.184665D+01
               106           107           108           109           110 
      1  -0.187942D+01  0.180707D+01 -0.190575D+01  0.207806D+01  0.175945D+01
      2   0.180707D+01 -0.338365D+01  0.256072D+01  0.175945D+01  0.364158D+01
      3  -0.190575D+01  0.256072D+01 -0.409275D+01  0.128053D+01  0.166887D+01
               111           112           113           114           115 
      1   0.128053D+01  0.145984D+01  0.172954D+01  0.988263D+00  0.127251D+01
      2   0.166887D+01  0.172954D+01  0.475493D+01  0.177131D+01  0.103168D+01
      3   0.140254D+01  0.988263D+00  0.177131D+01  0.177141D+01  0.576217D+00
               116           117           118           119           120 
      1   0.103168D+01  0.576217D+00 -0.550232D+01  0.606157D+00  0.296645D+01
      2   0.222340D+01  0.205936D+01  0.606157D+00 -0.970308D+00  0.281586D-01
      3   0.205936D+01  0.202493D+01  0.296645D+01  0.281586D-01 -0.282087D+01
               121           122           123           124           125 
      1  -0.920931D+00 -0.319731D+00  0.768776D+00  0.324759D+01 -0.459122D-01
      2  -0.319731D+00 -0.310664D+00  0.396960D+00 -0.459122D-01  0.962865D+00
      3   0.768776D+00  0.396960D+00 -0.457241D+00 -0.277127D+01  0.615488D+00
               126           127           128           129           130 
      1  -0.277127D+01  0.240231D+01 -0.212064D+01  0.477536D+00 -0.239367D+01
      2   0.615488D+00 -0.212064D+01  0.290424D+01  0.157617D+00  0.299311D+01
      3   0.325129D+01  0.477536D+00  0.157617D+00  0.523156D+00  0.931595D-01
               131           132           133           134           135 
      1   0.299311D+01  0.931595D-01 -0.461140D+00  0.854106D+00  0.180232D+00
      2  -0.669639D+01  0.366568D+00  0.854106D+00 -0.131333D+01 -0.526079D+00
      3   0.366568D+00 -0.120234D+01  0.180232D+00 -0.526079D+00 -0.415206D+00
               136           137           138           139           140 
      1  -0.318699D+01 -0.970190D+00  0.263577D+01 -0.665484D+00 -0.415277D+00
      2  -0.970190D+00 -0.123711D+01  0.153458D+01 -0.415277D+00 -0.133809D+01
      3   0.263577D+01  0.153458D+01 -0.412396D+01  0.849949D+00  0.112801D+01
               141           142           143           144           145 
      1   0.849949D+00  0.211188D+01  0.890997D+00 -0.218670D+01  0.382599D+01
      2   0.112801D+01  0.890997D+00  0.110094D+01 -0.114481D+01  0.121567D+01
      3  -0.876301D+00 -0.218670D+01 -0.114481D+01  0.476881D+01  0.261385D+01
               146           147           148           149           150 
      1   0.121567D+01  0.261385D+01  0.228713D+01  0.171529D+01  0.184425D+01
      2   0.173707D+01  0.110430D+01  0.171529D+01  0.181723D+01  0.128830D+01
      3   0.110430D+01  0.232362D+01  0.184425D+01  0.128830D+01  0.269560D+01
               151           152           153 
      1   0.199454D+01  0.101361D+01  0.164012D+01
      2   0.101361D+01  0.946764D+00  0.116779D+01
      3   0.164012D+01  0.116779D+01  0.308599D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.107474D-01  0.346006D-02  0.339603D-02  0.128020D-01 -0.846983D-02
      2  -0.798978D-02  0.481108D-02  0.466658D+01 -0.792527D-03 -0.101377D-02
      3  -0.304336D-01 -0.467736D+01 -0.149813D-01  0.466334D+01 -0.201591D-01
                 6             7             8             9            10 
      1  -0.467140D+01  0.181326D-01  0.464412D+01 -0.757315D-02  0.111715D+01
      2   0.353794D-02 -0.464369D+01 -0.798683D-02  0.951438D-02 -0.652241D+01
      3  -0.136633D-01  0.391317D-02 -0.349691D-02 -0.929344D-02 -0.864988D+00
                11            12            13            14            15 
      1   0.639631D+01  0.351807D+01  0.790724D+01 -0.183106D+01 -0.399559D+01
      2  -0.588041D+01  0.307769D+01 -0.549238D+01 -0.249134D+01 -0.752033D+01
      3   0.410930D+01  0.476523D+01  0.941887D+01 -0.310804D+01 -0.541978D+01
                16            17            18            19            20 
      1   0.403003D+01  0.760904D+00  0.724920D+00 -0.310586D+01 -0.190245D+01
      2  -0.336157D+01 -0.798198D+01  0.899717D+01  0.611982D+01  0.586028D+01
      3   0.432061D+01 -0.383913D+01  0.395574D+01 -0.387137D+01 -0.688117D+01
                21            22            23            24            25 
      1   0.697322D+01 -0.288111D+01 -0.270975D+01 -0.523300D+01  0.823746D+01
      2  -0.362861D+01  0.493554D+01 -0.412462D+01 -0.141207D+01 -0.895828D+01
      3  -0.275578D+01 -0.923726D+00  0.941953D+01  0.700413D+01 -0.182179D+01
                26            27            28            29            30 
      1   0.603696D-01  0.581701D+01  0.429606D+01  0.441719D+01 -0.675435D+01
      2  -0.272047D+01 -0.204778D+01  0.113817D+01  0.436419D+01  0.479514D+00
      3   0.597606D+01 -0.551067D+01  0.415267D+01 -0.809249D+01 -0.866073D+01
                31            32            33            34            35 
      1   0.480564D+01 -0.223728D+01  0.333809D+01 -0.801989D+01  0.915745D+01
      2   0.367896D+01  0.705770D+00  0.441439D+01 -0.379827D+01  0.566980D+01
      3  -0.174771D+01 -0.653023D+01 -0.551373D+01 -0.786605D+01 -0.508995D+01
                36            37            38            39            40 
      1  -0.208600D+01 -0.230694D+01 -0.889318D+01 -0.374508D+01 -0.981746D+01
      2  -0.185375D+01 -0.743062D+00 -0.434649D+01  0.109634D+02 -0.316629D+01
      3   0.235279D+01  0.606358D+00 -0.104905D+00  0.665340D+01  0.425971D+01
                41            42            43            44            45 
      1   0.682663D+01 -0.502825D+01 -0.422246D+01  0.117270D+01 -0.449490D+01
      2   0.590821D+01  0.453457D+01  0.495377D+01  0.502859D+01 -0.511489D+01
      3   0.198063D+00  0.390907D+01  0.541881D+01  0.292450D+01 -0.809220D+00
                46            47            48            49            50 
      1  -0.301080D+00  0.911679D+00  0.115310D+00 -0.401018D+00 -0.220175D+01
      2  -0.263115D+01  0.166410D+01 -0.218396D+01  0.278406D+01 -0.234395D+01
      3  -0.135747D+01 -0.753196D-01 -0.136968D+01  0.146495D+01 -0.194417D+01
                51            52            53            54            55 
      1  -0.222161D+00 -0.414887D+00  0.415766D+01  0.743574D+00  0.241024D+01
      2   0.437266D+01 -0.513549D+01  0.414471D+01 -0.955681D+01  0.246049D+01
      3   0.272563D+01 -0.228338D+01  0.285119D+01 -0.373895D+01  0.255103D+01
                56            57            58            59            60 
      1  -0.373515D+01 -0.710071D+00 -0.339193D+01  0.668353D+01 -0.531985D-01
      2  -0.495068D+00  0.171300D+01 -0.202397D+01  0.870379D+00 -0.198112D+01
      3  -0.564345D+01 -0.189987D+01 -0.225436D+01  0.873489D+01  0.252851D+01
                61            62            63            64            65 
      1  -0.152003D+01  0.280110D+01  0.901182D+00 -0.308193D+01 -0.285270D+01
      2  -0.873067D+00  0.103828D+00 -0.159066D+01  0.601229D+01  0.397183D+01
      3  -0.136466D+01  0.266279D+01  0.142907D+01 -0.379429D+00 -0.477622D+01
                66            67            68            69            70 
      1  -0.250761D+01 -0.315785D+01 -0.292304D+01 -0.299416D+01 -0.161191D+01
      2   0.466050D+01  0.406368D+01  0.363506D+01  0.420327D+01  0.214345D+01
      3  -0.901216D+00 -0.697416D+00 -0.413289D+01 -0.457206D+00 -0.159713D+00
                71            72            73            74            75 
      1  -0.760328D+00 -0.221563D+01 -0.193869D+01  0.200397D+01 -0.319689D+01
      2   0.273384D+01  0.314142D+01 -0.843725D+00 -0.634312D+00  0.288625D+01
      3  -0.206315D+01 -0.113107D+01  0.231956D+01 -0.203523D+01  0.256017D+01
                76            77            78            79            80 
      1   0.137012D+01 -0.307949D+01  0.235746D+01 -0.352938D+01  0.546297D+01
      2   0.583628D+00  0.121421D+01 -0.210238D+01 -0.118554D+01 -0.882217D+00
      3  -0.415683D+00  0.196855D+01 -0.257628D+01  0.256141D+01 -0.383292D+01
                81            82            83            84            85 
      1  -0.718039D+01  0.380925D+01  0.116046D+01 -0.397906D+01  0.171747D+01
      2   0.594940D+01 -0.620741D+01 -0.244327D+01  0.694619D+01 -0.201790D+01
      3   0.441994D+01  0.506482D+01 -0.207281D+01 -0.135404D+01  0.149368D+01
                86            87            88            89            90 
      1   0.120036D+01 -0.175256D+01 -0.315126D+01  0.526894D-01  0.320262D+01
      2  -0.122155D+01  0.170055D+01  0.343645D+01  0.146497D+01 -0.533852D+01
      3  -0.111017D+01 -0.512624D+00 -0.259905D+01  0.134804D+01  0.169339D+01
                91            92            93            94            95 
      1   0.834352D+00 -0.144612D+01  0.100368D+01 -0.538562D+00  0.433124D+01
      2   0.161586D+01 -0.206735D+01  0.194492D+00 -0.292968D+01  0.361017D+01
      3  -0.386454D+01  0.328397D+01  0.123623D+01  0.654733D+01 -0.921335D+01
                96            97            98            99           100 
      1  -0.289068D+01 -0.547176D+00  0.121633D+01 -0.118590D+01  0.187935D+01
      2   0.172419D+01 -0.122509D+01  0.183447D+01  0.127891D+01  0.807289D+00
      3  -0.306213D+01  0.168053D+01 -0.278521D+01 -0.130721D+01 -0.224019D+01
               101           102           103           104           105 
      1  -0.173650D+01  0.387922D+01 -0.231386D+01  0.304619D+01 -0.563798D+01
      2  -0.152569D+01  0.309919D+01 -0.737111D+00  0.198904D+01 -0.294621D+01
      3  -0.240399D+00 -0.336456D+00  0.251726D+01  0.141262D+01  0.337385D+00
               106           107           108           109           110 
      1   0.338556D+01 -0.252630D+01  0.896387D+01 -0.125329D+01 -0.620287D-02
      2   0.787709D-01 -0.258449D+01  0.542797D+01 -0.294312D+01 -0.193727D+01
      3  -0.254543D+01 -0.105522D+01 -0.803532D+00  0.615742D+01  0.344101D+01
               111           112           113           114           115 
      1  -0.257038D+01 -0.931616D+00  0.165410D+00 -0.410064D+01 -0.445753D+00
      2  -0.191108D+00 -0.260282D+01 -0.238501D+01 -0.132628D+01 -0.256276D+01
      3   0.318604D+01  0.632795D+01  0.576334D+01  0.330670D+01  0.420649D+01
               116           117           118           119           120 
      1  -0.509750D+00 -0.281447D+01 -0.437793D+01 -0.213538D+01  0.466767D+01
      2  -0.198843D+01 -0.118989D+01  0.118918D+01 -0.375907D+00  0.350353D+01
      3   0.301515D+01  0.245037D+01 -0.766674D+01 -0.288525D+01  0.474084D+01
               121           122           123           124           125 
      1  -0.975391D+00 -0.118620D+01 -0.106700D+00  0.409578D+01  0.177989D+01
      2   0.819228D-01 -0.219959D+00  0.332628D+00 -0.988302D+00 -0.414329D+00
      3  -0.402532D+00 -0.132851D+01  0.119555D+01  0.524653D+01  0.250219D+01
               126           127           128           129           130 
      1  -0.440699D+01 -0.262762D+01  0.480515D+01  0.206310D+01  0.457831D+01
      2  -0.266596D+01 -0.286543D+01  0.312235D+01  0.133809D+01  0.368701D+01
      3  -0.369749D+01 -0.159166D+01 -0.177179D+01 -0.511974D+00  0.270820D+01
               131           132           133           134           135 
      1  -0.945338D+01 -0.392177D+01  0.104577D+01 -0.111062D+01 -0.186309D+01
      2  -0.437697D+01 -0.245576D+01 -0.227980D+00 -0.128305D+01 -0.990865D+00
      3   0.300142D+01 -0.211587D+00  0.321055D+00  0.397328D+00  0.242239D+00
               136           137           138           139           140 
      1   0.718956D+00 -0.205654D+01 -0.150986D+01  0.244276D+00 -0.144276D+01
      2   0.820765D+01  0.200591D+01 -0.395602D+01  0.226334D+01  0.110356D+01
      3   0.388098D+01 -0.559242D+00 -0.272393D+01  0.179074D+01  0.597088D+00
               141           142           143           144           145 
      1  -0.318589D+00 -0.435860D+00  0.281755D+01  0.244194D+01  0.391722D+01
      2  -0.179255D+01 -0.726151D+01 -0.214457D+01  0.525692D+01 -0.478367D+01
      3  -0.132974D+01 -0.312384D+01 -0.480557D+00  0.258578D+01 -0.286738D+01
               146           147           148           149           150 
      1   0.506599D+01  0.274963D+01  0.377018D+01  0.481820D+01  0.187426D+01
      2  -0.128609D+01 -0.211877D+00 -0.310719D+01 -0.187198D+01  0.250925D+00
      3  -0.436939D+01 -0.261508D+01 -0.139804D+01 -0.370660D+01 -0.190723D+01
               151           152           153 
      1   0.308724D+01  0.417404D+01  0.346165D+01
      2  -0.374347D+01 -0.974064D+00  0.284825D+00
      3  -0.199542D+01 -0.252761D+01 -0.212188D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.400489D+01 -0.325751D+01  0.295310D+01 -0.329101D+01 -0.147255D+01
      2  -0.155812D+01  0.350658D+01 -0.144325D+01  0.351532D+01  0.974615D+00
      3  -0.244677D+01 -0.249069D+00 -0.150985D+01 -0.224308D+00  0.497932D+00
      4  -0.337178D+01 -0.322356D+01 -0.995904D+00 -0.324972D+01  0.355520D+01
      5   0.303891D+01 -0.957847D+00 -0.413923D+01 -0.952667D+00 -0.141889D+01
      6  -0.988502D+00 -0.137649D+01 -0.337447D+00 -0.142459D+01 -0.413092D+01
                 6             7             8             9            10 
      1  -0.975334D+00  0.305670D+01 -0.934889D+00 -0.243670D+01 -0.512528D+01
      2  -0.411920D+01 -0.138875D+01 -0.416506D+01  0.558293D+00 -0.441896D+01
      3   0.509454D+01 -0.166795D+01  0.509995D+01  0.187841D+01  0.954424D+01
      4  -0.144320D+01 -0.967025D+00 -0.133880D+01 -0.199283D+00 -0.127608D+01
      5  -0.191409D+00 -0.422928D+01 -0.192049D+00 -0.159952D+01 -0.656317D+01
      6  -0.124314D+01 -0.196162D+00 -0.123933D+01  0.508799D+01 -0.443336D+01
                11            12            13            14            15 
      1  -0.433709D+01 -0.246792D+01 -0.462843D+01 -0.844519D+01 -0.146257D+02
      2  -0.646906D+01  0.381997D+01 -0.526027D+01  0.543184D+01  0.160730D+01
      3   0.108061D+02 -0.135205D+01  0.988870D+01  0.301335D+01  0.130184D+02
      4  -0.127224D+02 -0.103593D+02 -0.136840D+02  0.267668D+01  0.174529D+01
      5  -0.899467D+01  0.665561D+01 -0.987988D+01  0.674692D+01  0.309199D+01
      6   0.432307D+01  0.896757D+01  0.481466D+01 -0.399696D+01 -0.702656D+01
                16            17            18            19            20 
      1  -0.285761D+01 -0.148007D+02  0.141976D+02 -0.855722D+01 -0.924159D+01
      2   0.326614D+01  0.243579D+01 -0.181235D+01  0.257924D+01  0.656333D+01
      3  -0.408531D+00  0.123649D+02 -0.123853D+02  0.597798D+01  0.267826D+01
      4  -0.115451D+02  0.559334D+00 -0.926030D+00 -0.370153D+01  0.205511D+01
      5   0.692792D+01  0.240137D+01 -0.147762D+01  0.577381D+01  0.761025D+01
      6   0.728497D+01 -0.697978D+01  0.807562D+01  0.704913D+01  0.113625D+02
                21            22            23            24            25 
      1   0.569009D+01 -0.923486D+01  0.141612D+02  0.945337D+01  0.637830D+01
      2   0.903157D+01  0.515891D+01 -0.141547D+02 -0.114599D+02  0.795694D+01
      3  -0.147217D+02  0.407596D+01 -0.651602D-02  0.200650D+01 -0.143352D+02
      4   0.114540D+02  0.304245D+01  0.384749D+01  0.501611D+01  0.122782D+02
      5  -0.577601D+01  0.783709D+01  0.441932D+01  0.859519D+01 -0.705036D+01
      6   0.373358D+00  0.100826D+02 -0.748755D+01 -0.139998D+01  0.308642D+00
                26            27            28            29            30 
      1   0.101255D+02 -0.538289D+01 -0.308669D+01  0.729049D+01  0.113231D+02
      2  -0.113504D+02  0.116967D+02  0.528259D+01 -0.958847D+01 -0.174879D+02
      3   0.122490D+01 -0.631381D+01 -0.219590D+01  0.229798D+01  0.616478D+01
      4   0.516560D+01  0.974297D+00  0.210545D+01 -0.294748D+00 -0.220700D+01
      5   0.710876D+01 -0.932768D+01  0.684954D+01  0.306809D+01 -0.105324D+02
      6  -0.543880D+00  0.126331D+01 -0.543757D+01 -0.139180D+02  0.435286D+01
                31            32            33            34            35 
      1   0.732149D+01  0.509027D+01  0.595408D+01  0.117968D+02  0.483762D+01
      2  -0.903320D+01 -0.136413D+01 -0.582189D-01 -0.172012D+02 -0.363588D-04
      3   0.171171D+01 -0.372614D+01 -0.589587D+01  0.540435D+01 -0.483759D+01
      4   0.230671D+00 -0.112779D+02 -0.119221D+02 -0.138487D+01 -0.128602D+02
      5   0.484344D+01 -0.720020D+01  0.914411D+00 -0.106094D+02  0.215446D+01
      6  -0.127968D+02  0.277946D+01 -0.898420D+01  0.505245D+01 -0.948472D+01
                36            37            38            39            40 
      1  -0.235172D+01  0.326981D+01  0.171730D+01 -0.103638D+02  0.198254D+01
      2  -0.284221D+01  0.397712D+01  0.144874D+02  0.267713D+01  0.140424D+02
      3   0.519393D+01 -0.724693D+01 -0.162047D+02  0.768664D+01 -0.160249D+02
      4   0.801904D+01 -0.162897D+01 -0.764366D+01 -0.103614D+00 -0.817699D+01
      5  -0.146812D-01 -0.179060D+01 -0.295562D+01 -0.103170D+02 -0.401273D+01
      6   0.335809D+01  0.158053D+01 -0.362271D+01 -0.140548D+02 -0.403599D+01
                41            42            43            44            45 
      1  -0.348485D+01 -0.207570D+01 -0.112599D+02 -0.151472D+01 -0.511633D+00
      2  -0.743437D+01  0.425136D+01  0.400990D+01  0.346728D+01  0.297084D+01
      3   0.109192D+02 -0.217566D+01  0.724999D+01 -0.195255D+01 -0.245920D+01
      4   0.964600D+01  0.325348D+01 -0.597222D+00  0.511924D+01 -0.845750D+01
      5  -0.586987D+01 -0.129751D+02 -0.884316D+01 -0.120520D+02  0.862383D+01
      6   0.317279D+01  0.165242D+01 -0.130398D+02  0.149588D+01 -0.585257D+01
                46            47            48            49            50 
      1  -0.125433D+01  0.330725D+01 -0.571351D+01  0.300284D+01 -0.591208D+01
      2  -0.530580D+00 -0.107772D+01 -0.163441D+01 -0.927025D+00  0.246008D+01
      3   0.178491D+01 -0.222953D+01  0.734792D+01 -0.207582D+01  0.345200D+01
      4  -0.842778D+00  0.221035D+01 -0.146496D+00  0.380888D+01  0.226249D+01
      5   0.304279D+01 -0.691008D+00  0.285291D+01 -0.171782D+01 -0.270351D+01
      6  -0.178534D+01  0.302527D+01 -0.394724D+01  0.233057D+00 -0.874413D+01
                51            52            53            54            55 
      1   0.971652D+01 -0.439744D+01  0.927845D+01 -0.199691D+02  0.127702D+02
      2   0.323337D+00  0.122855D+01 -0.440627D+00 -0.102422D+02 -0.722659D+01
      3  -0.100399D+02  0.316889D+01 -0.883782D+01  0.302113D+02 -0.554358D+01
      4  -0.281458D+01 -0.744034D+00 -0.356906D+01  0.370236D+01 -0.779020D+01
      5   0.381268D+01  0.565933D+01  0.311231D+01 -0.922318D+01 -0.950097D+01
      6   0.116905D+02 -0.129896D+01  0.118162D+02 -0.155002D+02  0.468793D+01
                56            57            58            59            60 
      1  -0.569765D+01 -0.286639D+01 -0.916262D+01  0.293809D+01  0.136359D+01
      2   0.454292D+01  0.393438D+01  0.608652D+01  0.880679D+00 -0.402816D+01
      3   0.115473D+01 -0.106799D+01  0.307611D+01 -0.381877D+01  0.266458D+01
      4   0.107120D+02  0.408695D+01  0.121544D+02 -0.155229D+02 -0.503702D+01
      5   0.671720D+01  0.715652D+01  0.101900D+02 -0.761621D+01 -0.887346D+01
      6  -0.541035D+01 -0.351624D+01 -0.633656D+01  0.119167D+02  0.753740D+01
                61            62            63            64            65 
      1  -0.208645D+01  0.186471D+01 -0.130140D+01  0.222000D+02  0.897187D+01
      2   0.359444D+01 -0.281569D+01 -0.362263D+01 -0.617324D+01  0.114938D+01
      3  -0.150799D+01  0.950982D+00  0.492404D+01 -0.160267D+02 -0.101212D+02
      4   0.364268D+01 -0.360033D+01 -0.336842D+01  0.148680D+02  0.136824D+02
      5   0.671897D+01 -0.533948D+01 -0.651680D+01 -0.183322D+01 -0.554857D-02
      6  -0.369086D+01  0.651880D+01  0.290543D+01 -0.157763D+01 -0.290696D+01
                66            67            68            69            70 
      1   0.408125D+01  0.109871D+02  0.493323D+01  0.318854D+01  0.819737D+01
      2  -0.641185D-01  0.405776D+00  0.573085D+01  0.177017D+01 -0.209096D+01
      3  -0.401713D+01 -0.113929D+02 -0.106641D+02 -0.495871D+01 -0.610641D+01
      4   0.342703D+01  0.147594D+02  0.136845D+02  0.221150D+01  0.632753D+01
      5   0.485897D+01 -0.832831D+00 -0.102064D+01  0.373192D+01  0.341191D+01
      6   0.471312D+00 -0.254295D+01 -0.176392D+01  0.352318D+01  0.486582D+00
                71            72            73            74            75 
      1   0.325761D+01  0.119180D+01  0.714721D+01 -0.539047D+00  0.305757D+01
      2   0.223591D+01 -0.271261D+00 -0.783305D+01  0.168524D+01 -0.868993D+01
      3  -0.549352D+01 -0.920538D+00  0.685845D+00 -0.114619D+01  0.563235D+01
      4   0.551940D+01  0.349713D+01  0.140357D+01  0.302562D+01 -0.628253D+00
      5   0.250487D+01  0.452197D+01  0.948983D+01 -0.278943D+01  0.126250D+02
      6   0.221721D+01  0.123202D+01  0.245241D+00  0.303891D+00  0.214936D+01
                76            77            78            79            80 
      1  -0.259815D+01 -0.161344D+01 -0.307369D+00  0.403955D+01 -0.175215D+01
      2   0.351272D+01 -0.614255D+00  0.720170D+01 -0.101076D+02  0.591952D+01
      3  -0.914576D+00  0.222770D+01 -0.689433D+01  0.606806D+01 -0.416737D+01
      4   0.204075D+01 -0.364764D+01  0.262191D+01  0.327761D+00  0.385482D+01
      5  -0.584893D+01  0.301089D+01 -0.699288D+01  0.145604D+02 -0.326419D+01
      6   0.450725D+00 -0.260590D+01  0.327730D+01  0.217719D+01  0.505879D+01
                81            82            83            84            85 
      1  -0.325663D+01  0.258162D+02  0.563323D+01 -0.789252D+01  0.447029D+01
      2  -0.189047D+02 -0.798008D+01  0.152665D+01  0.579330D+00  0.142731D+01
      3   0.221613D+02 -0.178362D+02 -0.715988D+01  0.731319D+01 -0.589760D+01
      4  -0.668568D-01  0.170892D+02  0.107667D+02 -0.583936D+01  0.908885D+01
      5   0.208592D+02 -0.391283D+01 -0.140308D+01  0.766591D+01 -0.112745D+01
      6   0.422012D+01 -0.383436D+01 -0.197500D+01  0.462326D+01 -0.237991D+01
                86            87            88            89            90 
      1   0.654696D+00 -0.195869D+01 -0.118097D+02 -0.201445D+01  0.471447D+01
      2   0.432659D+01 -0.766497D-01  0.266144D+01 -0.171844D+01 -0.317684D+01
      3  -0.498128D+01  0.203534D+01  0.914824D+01  0.373289D+01 -0.153763D+01
      4   0.625408D+01 -0.383922D+01 -0.922840D+01 -0.700980D+01  0.439403D+01
      5  -0.170440D+01  0.550467D+00  0.710381D+01  0.142306D+01 -0.666166D+01
      6  -0.190723D+00  0.323125D+01  0.421316D+01  0.307806D+01 -0.561044D+01
                91            92            93            94            95 
      1  -0.152740D+01  0.826789D+01  0.253944D+01  0.651713D+01 -0.219134D+02
      2   0.338009D+01 -0.104306D+02 -0.201211D+01 -0.594964D+01  0.319986D+02
      3  -0.185269D+01  0.216275D+01 -0.527331D+00 -0.567491D+00 -0.100852D+02
      4  -0.394837D+01  0.377309D+01  0.141028D+00  0.580064D+01  0.427753D+01
      5  -0.307371D+01  0.163192D+01  0.202860D+01  0.245456D+01 -0.298824D+00
      6   0.205256D+01 -0.634322D+01 -0.470441D+01 -0.312528D+01  0.175568D+02
                96            97            98            99           100 
      1  -0.804593D+01  0.117342D+01 -0.711794D+01 -0.467587D+01  0.443283D+01
      2   0.686650D+01 -0.171038D+01  0.616172D+01  0.175756D+01  0.232804D+00
      3   0.117943D+01  0.536957D+00  0.956221D+00  0.291831D+01 -0.466563D+01
      4   0.115090D+01  0.769427D-01  0.110967D+01  0.272846D+00 -0.843308D+01
      5   0.560389D+00  0.305607D+01 -0.249582D+00  0.148961D+01  0.324897D+01
      6   0.112545D+02 -0.180392D+01  0.992695D+01  0.651310D+01 -0.336925D+01
               101           102           103           104           105 
      1  -0.144683D+01  0.919225D+00 -0.123224D+01 -0.548461D+01  0.146636D+01
      2  -0.340151D+01  0.268283D+01 -0.334287D+01  0.134081D+02 -0.633304D+01
      3   0.484834D+01 -0.360205D+01  0.457511D+01 -0.792353D+01  0.486667D+01
      4   0.851827D+01 -0.519052D+01  0.795927D+01 -0.882958D+01  0.680149D+01
      5  -0.299543D+01  0.675085D+01 -0.259374D+01  0.406965D+01 -0.371686D+01
      6   0.457064D+01 -0.530016D+01  0.465790D+01 -0.758619D+01  0.995729D+01
               106           107           108           109           110 
      1   0.224463D+01  0.374556D+01 -0.265363D+01 -0.219995D+01 -0.882068D+01
      2   0.242842D+01 -0.104335D+02  0.282694D+01  0.384795D+01  0.132031D+02
      3  -0.467304D+01  0.668799D+01 -0.173310D+00 -0.164799D+01 -0.438241D+01
      4  -0.866336D+01  0.100929D+02 -0.763514D+01  0.894427D+01  0.719589D+01
      5   0.720248D+01 -0.480388D+01  0.918836D+01  0.301234D+01  0.173288D+01
      6  -0.601299D+01  0.114474D+02 -0.154760D+02  0.512488D+01  0.853014D+01
               111           112           113           114           115 
      1  -0.556824D+01 -0.630027D+01 -0.154825D+02 -0.783527D+01 -0.471263D+01
      2   0.410766D+01  0.796832D+01  0.233286D+02  0.734941D+01  0.383554D+01
      3   0.146058D+01 -0.166805D+01 -0.784608D+01  0.485855D+00  0.877084D+00
      4   0.379866D+01  0.732032D+01  0.487845D+01  0.299938D+01  0.419832D+01
      5   0.363120D+01  0.128126D+01  0.152141D+01  0.384033D-01  0.424555D+01
      6   0.688320D+01  0.559751D+01  0.125930D+02  0.109907D+02  0.358785D+01
               116           117           118           119           120 
      1  -0.864081D+01 -0.687454D+01  0.184596D+02  0.569735D+00 -0.714960D+01
      2   0.867328D+01  0.375272D+01 -0.133930D+02 -0.269995D+01  0.981616D+01
      3  -0.324660D-01  0.312183D+01 -0.506661D+01  0.213021D+01 -0.266656D+01
      4   0.278671D+01  0.143471D+01 -0.117050D+02  0.641325D+01  0.623395D+01
      5   0.469810D+00  0.121636D+01 -0.156468D+02  0.905428D+00  0.134981D+02
      6   0.117207D+02  0.963876D+01  0.662226D+01 -0.178319D+01 -0.692944D+01
               121           122           123           124           125 
      1   0.279989D+01  0.536117D+00 -0.120360D+01 -0.823862D+01 -0.169666D+01
      2  -0.302969D+01 -0.405750D+00  0.294862D+01  0.100329D+02  0.301795D+01
      3   0.229799D+00 -0.130367D+00 -0.174503D+01 -0.179426D+01 -0.132129D+01
      4   0.331190D+01  0.112285D+01 -0.107294D+01  0.726768D+01 -0.265647D+01
      5  -0.194567D+01 -0.171815D+01  0.165293D+01  0.134945D+02 -0.128054D+01
      6  -0.667344D+00 -0.250031D+00  0.280864D+01 -0.604315D+01  0.512899D+01
               126           127           128           129           130 
      1   0.182903D+01  0.483395D+01 -0.174483D+01 -0.369324D+00 -0.254473D+01
      2  -0.850320D+01  0.155134D+01 -0.755096D+01 -0.118351D+01 -0.704040D+01
      3   0.667417D+01 -0.638529D+01  0.929579D+01  0.155283D+01  0.958513D+01
      4  -0.584839D+01 -0.100720D+02  0.124882D+02 -0.372093D+00  0.132106D+02
      5  -0.126948D+02  0.454779D+01 -0.357124D+01  0.445150D+01 -0.478492D+01
      6   0.675587D+01 -0.389498D+01  0.630896D+01 -0.134884D+01  0.595050D+01
               131           132           133           134           135 
      1  -0.619928D+01  0.260066D+01 -0.110057D+01  0.346290D+00 -0.627651D+00
      2   0.231565D+02  0.140804D+01 -0.966757D+00  0.403740D+01  0.131678D+01
      3  -0.169573D+02 -0.400871D+01  0.206733D+01 -0.438369D+01 -0.689129D+00
      4  -0.176873D+02  0.530427D+00  0.231382D+01 -0.255333D+01 -0.152060D+01
      5   0.561824D+01 -0.221555D+01  0.248115D+01 -0.863825D+00 -0.126835D+01
      6  -0.130385D+02  0.631592D+01 -0.432893D+00  0.315183D+01  0.113307D+01
               136           137           138           139           140 
      1  -0.198389D+01 -0.370194D+01  0.929831D+01 -0.252345D+01 -0.341631D+01
      2  -0.421218D+01  0.557793D+00  0.553208D+01 -0.409325D+00  0.245360D+01
      3   0.619607D+01  0.314414D+01 -0.148304D+02  0.293277D+01  0.962714D+00
      4   0.639004D+01  0.447140D+01 -0.395714D+01  0.445711D+01  0.712200D+00
      5  -0.125911D+02 -0.282941D+01  0.110541D+02 -0.203055D+01 -0.186204D+01
      6  -0.504362D+01 -0.687798D+01  0.914883D+01 -0.356923D+01 -0.579303D+01
               141           142           143           144           145 
      1   0.469006D+01  0.696109D+01  0.500773D+01 -0.136087D+02  0.972654D+01
      2  -0.941395D+00  0.261751D+01 -0.693991D+00 -0.928287D+01 -0.119886D+02
      3  -0.374867D+01 -0.957860D+01 -0.431373D+01  0.228916D+02  0.226203D+01
      4  -0.222777D+01 -0.354642D+01 -0.191567D+01  0.384883D+01  0.197173D+01
      5   0.292089D+01  0.102259D+02  0.315946D+01 -0.848451D+01  0.159131D+02
      6   0.766991D+01  0.598983D+01  0.800592D+01 -0.108930D+02  0.300209D+01
               146           147           148           149           150 
      1   0.303253D+01  0.253526D+01  0.443295D+01  0.649443D+00 -0.140863D+01
      2  -0.600564D+01 -0.966893D+01 -0.712171D+01 -0.125464D+01 -0.670385D+01
      3   0.297312D+01  0.713367D+01  0.268877D+01  0.605200D+00  0.811248D+01
      4   0.526375D+01  0.662610D+00  0.462023D+01  0.405024D+01  0.203100D+01
      5   0.553207D+01  0.142400D+02  0.912081D+01  0.602633D+01  0.909601D+01
      6   0.578939D+01  0.316884D+01  0.509625D+01  0.757360D+01  0.544954D+01
               151           152           153 
      1   0.261198D+01  0.580984D-02 -0.275220D+01
      2  -0.816922D+01 -0.433408D+01 -0.106913D+02
      3   0.555724D+01  0.432827D+01  0.134435D+02
      4   0.243513D+00  0.129603D+01  0.187897D+01
      5   0.123390D+02  0.571382D+01  0.113740D+02
      6   0.342039D+01  0.537275D+01  0.315341D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Jan 27 11:58:41 2022, MaxMem=  5368709120 cpu:            3946.9 elap:             494.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -10.30301 -10.27785 -10.27785 -10.27785 -10.27781
 Alpha  occ. eigenvalues --   -0.92237  -0.78058  -0.78057  -0.78057  -0.62385
 Alpha  occ. eigenvalues --   -0.53470  -0.53470  -0.53469  -0.48389  -0.48388
 Alpha  occ. eigenvalues --   -0.44316  -0.44316  -0.44316  -0.39883  -0.39882
 Alpha  occ. eigenvalues --   -0.39881
 Alpha virt. eigenvalues --    0.03697   0.05149   0.05149   0.05149   0.07188
 Alpha virt. eigenvalues --    0.07189   0.07189   0.07618   0.07618   0.09856
 Alpha virt. eigenvalues --    0.09856   0.09857   0.11313   0.14145   0.14145
 Alpha virt. eigenvalues --    0.14145   0.15744   0.16290   0.16290   0.16290
 Alpha virt. eigenvalues --    0.18390   0.18391   0.18391   0.18535   0.18535
 Alpha virt. eigenvalues --    0.20694   0.20695   0.20695   0.21795   0.21795
 Alpha virt. eigenvalues --    0.21795   0.21999   0.24724   0.24724   0.28961
 Alpha virt. eigenvalues --    0.28961   0.28961   0.31741   0.31742   0.31742
 Alpha virt. eigenvalues --    0.33274   0.33275   0.33275   0.37554   0.37555
 Alpha virt. eigenvalues --    0.37555   0.38626   0.42272   0.42272   0.43793
 Alpha virt. eigenvalues --    0.43794   0.43794   0.44421   0.44421   0.44422
 Alpha virt. eigenvalues --    0.45237   0.45823   0.45823   0.45823   0.50981
 Alpha virt. eigenvalues --    0.50982   0.51704   0.53242   0.53243   0.53243
 Alpha virt. eigenvalues --    0.54152   0.54153   0.54153   0.54996   0.54996
 Alpha virt. eigenvalues --    0.59865   0.60294   0.60294   0.60295   0.62280
 Alpha virt. eigenvalues --    0.62281   0.62281   0.66597   0.66597   0.66598
 Alpha virt. eigenvalues --    0.66996   0.66996   0.66997   0.68497   0.69117
 Alpha virt. eigenvalues --    0.71415   0.71417   0.71417   0.75825   0.75826
 Alpha virt. eigenvalues --    0.75826   0.77890   0.77890   0.84997   0.85000
 Alpha virt. eigenvalues --    0.85000   0.85002   0.85003   0.85006   0.85162
 Alpha virt. eigenvalues --    0.85163   0.87945   0.87945   0.87946   0.91937
 Alpha virt. eigenvalues --    0.91937   0.91938   0.96210   0.99073   0.99074
 Alpha virt. eigenvalues --    0.99075   1.00100   1.00101   1.11748   1.11751
 Alpha virt. eigenvalues --    1.13300   1.13300   1.13301   1.22207   1.24199
 Alpha virt. eigenvalues --    1.24201   1.24201   1.27633   1.27633   1.27633
 Alpha virt. eigenvalues --    1.42597   1.42598   1.42599   1.47321   1.47322
 Alpha virt. eigenvalues --    1.47322   1.55734   1.55734   1.55736   1.63187
 Alpha virt. eigenvalues --    1.63188   1.65593   1.66019   1.66021   1.66021
 Alpha virt. eigenvalues --    1.69286   1.69290   1.76545   1.84536   1.84539
 Alpha virt. eigenvalues --    1.84540   1.88926   1.88927   1.88927   1.90481
 Alpha virt. eigenvalues --    1.90483   1.92487   1.92490   1.92492   1.99809
 Alpha virt. eigenvalues --    1.99810   1.99811   2.10522   2.10522   2.10523
 Alpha virt. eigenvalues --    2.10941   2.12975   2.12977   2.12978   2.15803
 Alpha virt. eigenvalues --    2.15806   2.19174   2.19179   2.19181   2.32809
 Alpha virt. eigenvalues --    2.32811   2.32813   2.34360   2.34364   2.39232
 Alpha virt. eigenvalues --    2.42609   2.42611   2.42611   2.44361   2.44363
 Alpha virt. eigenvalues --    2.44364   2.54402   2.54403   2.63805   2.63857
 Alpha virt. eigenvalues --    2.63859   2.63860   2.70291   2.70292   2.70293
 Alpha virt. eigenvalues --    2.77655   2.77658   2.77659   2.85715   2.85715
 Alpha virt. eigenvalues --    2.85715   3.02192   3.10003   3.10009   3.30371
 Alpha virt. eigenvalues --    3.30375   3.30379
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   10.842627  -0.458720  -0.458732  -0.458741  -0.458621   0.095606
     2  C   -0.458720   4.863904  -0.094016  -0.094061  -0.093894   0.104399
     3  C   -0.458732  -0.094016   4.863846  -0.093979  -0.093950   0.017279
     4  C   -0.458741  -0.094061  -0.093979   4.863954  -0.093974   0.017319
     5  C   -0.458621  -0.093894  -0.093950  -0.093974   4.863568  -0.032763
     6  H    0.095606   0.104399   0.017279   0.017319  -0.032763   2.021826
     7  H    0.096070   0.104075   0.017255  -0.032812   0.017232  -0.494314
     8  H    0.096130   0.104124  -0.032804   0.017217   0.017242  -0.494310
     9  H    0.095887   0.016843   0.104225   0.017692  -0.032781  -0.066124
    10  H    0.096042  -0.032795   0.104181   0.016841   0.017624   0.021669
    11  H    0.095898   0.017666   0.104183  -0.032801   0.016867   0.007078
    12  H    0.096187   0.017328   0.017163   0.104007  -0.032795  -0.066149
    13  H    0.095713   0.017187  -0.032791   0.104296   0.017379   0.007057
    14  H    0.095866  -0.032798   0.017359   0.104249   0.017163   0.021683
    15  H    0.095806   0.017077   0.017404  -0.032763   0.104321   0.021681
    16  H    0.096058  -0.032792   0.017065   0.017415   0.104120  -0.030436
    17  H    0.096079   0.017429  -0.032777   0.017025   0.104143   0.021691
               7          8          9         10         11         12
     1  C    0.096070   0.096130   0.095887   0.096042   0.095898   0.096187
     2  C    0.104075   0.104124   0.016843  -0.032795   0.017666   0.017328
     3  C    0.017255  -0.032804   0.104225   0.104181   0.104183   0.017163
     4  C   -0.032812   0.017217   0.017692   0.016841  -0.032801   0.104007
     5  C    0.017232   0.017242  -0.032781   0.017624   0.016867  -0.032795
     6  H   -0.494314  -0.494310  -0.066124   0.021669   0.007078  -0.066149
     7  H    2.021676  -0.494208   0.007030   0.021686  -0.066157   0.021681
     8  H   -0.494208   2.021590   0.021673  -0.030434   0.021682   0.007055
     9  H    0.007030   0.021673   2.021804  -0.494290  -0.494323  -0.066161
    10  H    0.021686  -0.030434  -0.494290   2.021711  -0.494252   0.007014
    11  H   -0.066157   0.021682  -0.494323  -0.494252   2.021693   0.021695
    12  H    0.021681   0.007055  -0.066161   0.007014   0.021695   2.021512
    13  H    0.021672  -0.066140   0.021685   0.021676  -0.030435  -0.494313
    14  H   -0.030435   0.021677   0.007075  -0.066130   0.021669  -0.494263
    15  H   -0.066155   0.007026   0.021673   0.007079  -0.066154  -0.030436
    16  H    0.021682   0.021690   0.021693  -0.066168   0.007007   0.021681
    17  H    0.007042  -0.066161  -0.030437   0.021684   0.021688   0.021678
              13         14         15         16         17
     1  C    0.095713   0.095866   0.095806   0.096058   0.096079
     2  C    0.017187  -0.032798   0.017077  -0.032792   0.017429
     3  C   -0.032791   0.017359   0.017404   0.017065  -0.032777
     4  C    0.104296   0.104249  -0.032763   0.017415   0.017025
     5  C    0.017379   0.017163   0.104321   0.104120   0.104143
     6  H    0.007057   0.021683   0.021681  -0.030436   0.021691
     7  H    0.021672  -0.030435  -0.066155   0.021682   0.007042
     8  H   -0.066140   0.021677   0.007026   0.021690  -0.066161
     9  H    0.021685   0.007075   0.021673   0.021693  -0.030437
    10  H    0.021676  -0.066130   0.007079  -0.066168   0.021684
    11  H   -0.030435   0.021669  -0.066154   0.007007   0.021688
    12  H   -0.494313  -0.494263  -0.030436   0.021681   0.021678
    13  H    2.021878  -0.494296   0.021686   0.007065  -0.066163
    14  H   -0.494296   2.021772   0.021690  -0.066169   0.007035
    15  H    0.021686   0.021690   2.022059  -0.494343  -0.494312
    16  H    0.007065  -0.066169  -0.494343   2.021802  -0.494335
    17  H   -0.066163   0.007035  -0.494312  -0.494335   2.021787
 Mulliken charges:
               1
     1  C   -4.159153
     2  C    1.559045
     3  C    1.559091
     4  C    1.559116
     5  C    1.559120
     6  H   -0.173193
     7  H   -0.173020
     8  H   -0.173047
     9  H   -0.173165
    10  H   -0.173138
    11  H   -0.173005
    12  H   -0.172884
    13  H   -0.173154
    14  H   -0.173147
    15  H   -0.173338
    16  H   -0.173033
    17  H   -0.173094
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -4.159153
     2  C    1.039784
     3  C    1.039783
     4  C    1.039932
     5  C    1.039654
 Electronic spatial extent (au):  <R**2>=            484.0918
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.0000    Y=             -0.0000    Z=              0.0000  Tot=              0.0000
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -35.5069   YY=            -35.5068   ZZ=            -35.5067
   XY=              0.0000   XZ=              0.0000   YZ=             -0.0000
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.0001   YY=              0.0000   ZZ=              0.0001
   XY=              0.0000   XZ=              0.0000   YZ=             -0.0000
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -0.3949  YYY=             -1.1027  ZZZ=             -0.8915  XYY=              1.7754
  XXY=              0.0190  XXZ=              1.4214  XZZ=             -1.3805  YZZ=              1.0834
  YYZ=             -0.5299  XYZ=              1.9028
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -232.4284 YYYY=           -231.4734 ZZZZ=           -231.7623 XXXY=              1.0395
 XXXZ=             -0.9479 YYYX=             -1.1164 YYYZ=              1.2904 ZZZX=              0.5068
 ZZZY=             -1.5876 XXYY=            -76.2192 XXZZ=            -75.9234 YYZZ=            -76.8623
 XXYZ=              0.2968 YYXZ=              0.4413 ZZXY=              0.0769
 N-N= 1.985839790889D+02 E-N=-8.537211271397D+02  KE= 1.962704179569D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Jan 27 11:58:41 2022, MaxMem=  5368709120 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 3.97290691D-06-2.40208724D-06-2.94381933D-06
 Polarizability= 6.33545600D+01 1.19950019D-04 6.33541331D+01
                 3.32805357D-04-2.65587199D-04 6.33545491D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0028   -0.0023        0.0014    0.0012
 2      0.0028    0.0023       -0.0016   -0.0023       -0.0018   -0.0015
 3     -0.0014   -0.0012       -0.0043   -0.0049        0.0018    0.0023
 4      0.0016    0.0023       -0.0000    0.0000       -0.0014   -0.0012
 5      0.0061    0.0064        0.0014    0.0012       -0.0030   -0.0023
 6     -0.0018   -0.0023        0.0030    0.0023       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0069    0.0069        0.0035    0.0035
 2      0.0068    0.0068       -0.0000    0.0000        0.0035    0.0035
 3      0.0068    0.0068        0.0069    0.0069        0.0000    0.0000
 4      0.0069    0.0069       -0.0068   -0.0068       -0.0046   -0.0046
 5     -0.0035   -0.0035       -0.0147   -0.0147        0.0068    0.0068
 6      0.0193    0.0193        0.0035    0.0035       -0.0069   -0.0069
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0461    0.0000       -0.0838    0.0092       -0.0986   -0.0047
 2     -0.1087   -0.0092       -0.0871    0.0091       -0.0625    0.0061
 3      0.0323    0.0047       -0.0405    0.0196       -0.1752   -0.0091
 4      0.0906   -0.0091        0.0100    0.0000       -0.1445    0.0047
 5     -0.0781   -0.0258        0.3269   -0.0047        0.1183    0.0092
 6      0.1040    0.0091       -0.2306   -0.0092       -0.1860    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0815    0.0000        0.0870   -0.0092        0.0130    0.0026
 2      0.0665    0.0092        0.1104    0.0073        0.0973   -0.0035
 3      0.0335   -0.0026        0.0078   -0.0006       -0.1642   -0.0073
 4      0.1021   -0.0073       -0.0278    0.0000       -0.0792   -0.0026
 5     -0.0282    0.0041        0.0294    0.0026       -0.0060   -0.0092
 6     -0.0107    0.0073       -0.0520    0.0092        0.0856    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      3.0759    3.0518        1.0006    1.0377        1.9745    1.8750
 2      3.0549    3.0410        1.1190    1.0401        1.9569    1.8750
 3      3.1333    3.0410        1.0098    1.0377        1.9419    1.8681
 4      0.1199   -0.0024        0.1008    0.0108        0.1090    0.0238
 5     -0.0405   -0.0069        0.1005    0.0085       -0.0356   -0.0108
 6     -0.1106   -0.0323       -0.0646    0.0069       -0.0421    0.0024
 Full mass-weighted force constant matrix:
 Low frequencies ---   -7.0379   -5.0113   -2.2651   -0.0006   -0.0005   -0.0004
 Low frequencies ---  160.7279  208.9196  229.5407
 Diagonal vibrational polarizability:
        0.7232470       0.7231538       0.7231710
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --    160.7268               208.9194               229.5406
 Red. masses --      1.7162                 1.7869                 1.4859
 Frc consts  --      0.0261                 0.0460                 0.0461
 IR Inten    --      0.0000                 0.0001                 0.0002
 RamAct Fr= 1--      0.0001                 0.0014                 0.0303
  Dep-P Fr= 1--      0.7370                 0.7160                 0.7493
  Dep-U Fr= 1--      0.8486                 0.8345                 0.8567
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0000                 0.0002                 0.0043
 AlphaG Fr= 1--      0.0000                 0.0000                -0.0000
 Gamma2 Fr= 1--      0.0001                -0.0008                 0.0022
 Delta2 Fr= 1--     -0.0004                 0.0002                -0.0033
 Raman1 Fr= 1--       0.000                  0.005                  0.121
 ROA1   Fr= 1--      -0.002                 -0.073                  0.104
 CID1   Fr= 1--      -9.473                -13.409                  0.859
 Raman2 Fr= 1--       0.000                  0.002                  0.052
 ROA2   Fr= 1--       0.005                 -0.022                  0.080
 CID2   Fr= 1--      60.104                 -9.666                  1.531
 Raman3 Fr= 1--       0.000                  0.005                  0.104
 ROA3   Fr= 1--      -0.002                 -0.073                  0.104
 CID3   Fr= 1--     -11.163                -16.068                  1.003
 RC180  Fr= 1--       0.697                  0.669                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.01     0.00  -0.00  -0.00    -0.01  -0.00  -0.01
     2   6    -0.01   0.01   0.00    -0.02   0.05  -0.01    -0.00  -0.01  -0.00
     3   6    -0.00   0.00   0.01     0.02  -0.01  -0.01    -0.04   0.02   0.01
     4   6    -0.00   0.00   0.01    -0.02  -0.03   0.04     0.01   0.00   0.01
     5   6     0.01  -0.00   0.00     0.03  -0.02  -0.02     0.02  -0.02  -0.03
     6   1     0.01   0.21   0.10    -0.06  -0.04  -0.04    -0.04  -0.46  -0.23
     7   1    -0.15  -0.02  -0.19     0.07   0.08   0.04     0.32   0.05   0.41
     8   1     0.11  -0.18   0.08    -0.09   0.14  -0.04    -0.26   0.39  -0.17
     9   1     0.29  -0.15  -0.20     0.26  -0.14  -0.19     0.02  -0.00  -0.03
    10   1    -0.20   0.31  -0.13    -0.15   0.23  -0.14    -0.09   0.13   0.00
    11   1    -0.10  -0.15   0.35    -0.05  -0.13   0.28    -0.11  -0.04   0.09
    12   1    -0.17  -0.09   0.03     0.02   0.03   0.05     0.10   0.07  -0.00
    13   1     0.04   0.08  -0.16    -0.04  -0.05   0.11    -0.01  -0.05   0.10
    14   1     0.12   0.02   0.16    -0.05  -0.07  -0.01    -0.06  -0.00  -0.08
    15   1     0.26   0.15  -0.04    -0.35  -0.24   0.00     0.18   0.08  -0.09
    16   1    -0.02  -0.27  -0.12     0.09   0.37   0.18     0.02  -0.21  -0.09
    17   1    -0.21   0.11   0.16     0.36  -0.19  -0.26    -0.10   0.04   0.06
                      4                      5                      6
                      A                      A                      A
 Frequencies --    263.8816               298.5715               307.8296
 Red. masses --      1.0622                 2.6641                 2.2972
 Frc consts  --      0.0436                 0.1399                 0.1283
 IR Inten    --      0.0000                 0.0016                 0.0001
 RamAct Fr= 1--      0.0009                 0.9282                 0.9706
  Dep-P Fr= 1--      0.5818                 0.7499                 0.7496
  Dep-U Fr= 1--      0.7356                 0.8571                 0.8569
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0001                 0.1326                 0.1386
 AlphaG Fr= 1--      0.0000                -0.0000                 0.0000
 Gamma2 Fr= 1--     -0.0001                -0.0075                 0.0081
 Delta2 Fr= 1--      0.0010                -0.0047                 0.0058
 Raman1 Fr= 1--       0.004                  3.713                  3.882
 ROA1   Fr= 1--       0.026                 -0.870                  0.961
 CID1   Fr= 1--       6.864                 -0.234                  0.247
 Raman2 Fr= 1--       0.001                  1.591                  1.663
 ROA2   Fr= 1--      -0.009                 -0.142                  0.147
 CID2   Fr= 1--      -6.670                 -0.089                  0.088
 Raman3 Fr= 1--       0.003                  3.182                  3.327
 ROA3   Fr= 1--       0.026                 -0.870                  0.961
 CID3   Fr= 1--       9.332                 -0.273                  0.289
 RC180  Fr= 1--       0.471                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.01   0.03  -0.02    -0.01   0.01   0.01
     2   6    -0.01  -0.00  -0.01     0.01   0.15   0.01    -0.11  -0.02  -0.13
     3   6    -0.00  -0.01   0.02     0.02  -0.09   0.13     0.09  -0.05  -0.06
     4   6     0.00   0.00  -0.00     0.09   0.09  -0.08     0.12   0.04   0.13
     5   6     0.01   0.01   0.00    -0.10  -0.12  -0.06    -0.10   0.03   0.06
     6   1    -0.02   0.10   0.04    -0.03   0.21   0.06    -0.29  -0.21  -0.16
     7   1    -0.09  -0.02  -0.12     0.11   0.24  -0.08    -0.07  -0.01  -0.06
     8   1     0.06  -0.09   0.01    -0.07   0.18   0.09    -0.12   0.14  -0.34
     9   1     0.02  -0.05  -0.01    -0.13  -0.29   0.10     0.16  -0.10  -0.11
    10   1    -0.01   0.03   0.02     0.13  -0.07   0.28     0.05  -0.17  -0.16
    11   1    -0.01  -0.03   0.07     0.08  -0.10   0.25     0.25   0.02  -0.02
    12   1     0.48   0.28  -0.06     0.14   0.06  -0.13     0.10   0.18   0.22
    13   1    -0.13  -0.22   0.49     0.16   0.07  -0.15     0.24  -0.09   0.14
    14   1    -0.34  -0.05  -0.44     0.07   0.23  -0.06     0.16   0.07   0.19
    15   1     0.07   0.05  -0.00    -0.21  -0.15  -0.16    -0.04   0.04   0.19
    16   1     0.01  -0.05  -0.02    -0.20  -0.15  -0.18    -0.22   0.04  -0.06
    17   1    -0.04   0.05   0.02    -0.08  -0.28   0.11    -0.22   0.08   0.17
                      7                      8                      9
                      A                      A                      A
 Frequencies --    363.9943               384.7022               396.6529
 Red. masses --      2.6350                 2.3557                 2.2593
 Frc consts  --      0.2057                 0.2054                 0.2094
 IR Inten    --      0.0432                 0.0433                 0.0496
 RamAct Fr= 1--      0.1640                 0.2864                 0.2571
  Dep-P Fr= 1--      0.6978                 0.7192                 0.7034
  Dep-U Fr= 1--      0.8220                 0.8367                 0.8259
 Alpha2 Fr= 1--      0.0001                 0.0002                 0.0002
 Beta2  Fr= 1--      0.0225                 0.0399                 0.0354
 AlphaG Fr= 1--      0.0000                 0.0000                -0.0000
 Gamma2 Fr= 1--     -0.0052                -0.0018                 0.0051
 Delta2 Fr= 1--     -0.0019                 0.0015                -0.0026
 Raman1 Fr= 1--       0.656                  1.146                  1.028
 ROA1   Fr= 1--      -0.557                 -0.120                  0.408
 CID1   Fr= 1--      -0.849                 -0.105                  0.397
 Raman2 Fr= 1--       0.270                  0.479                  0.425
 ROA2   Fr= 1--      -0.109                 -0.055                  0.143
 CID2   Fr= 1--      -0.405                 -0.114                  0.337
 Raman3 Fr= 1--       0.539                  0.958                  0.849
 ROA3   Fr= 1--      -0.557                 -0.120                  0.408
 CID3   Fr= 1--      -1.033                 -0.126                  0.481
 RC180  Fr= 1--       0.644                  0.673                  0.652
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.10  -0.11  -0.05     0.05   0.09  -0.10     0.10   0.04   0.09
     2   6     0.04   0.10  -0.07     0.14  -0.05  -0.07    -0.04  -0.02  -0.10
     3   6    -0.07   0.02   0.00     0.03   0.02   0.06     0.10   0.12   0.07
     4   6     0.06  -0.16  -0.02    -0.09  -0.05   0.12    -0.10  -0.01  -0.08
     5   6    -0.04   0.03   0.09    -0.08   0.05  -0.09     0.00  -0.11   0.08
     6   1    -0.09   0.16   0.01     0.29  -0.08  -0.14    -0.27  -0.18  -0.09
     7   1     0.23   0.26  -0.23     0.01  -0.17   0.06    -0.10  -0.06  -0.11
     8   1    -0.07   0.19  -0.02     0.22  -0.14  -0.07     0.05   0.07  -0.37
     9   1    -0.11   0.15   0.09    -0.12  -0.14   0.05     0.17   0.23   0.09
    10   1    -0.05   0.21   0.11     0.14   0.10   0.23     0.07   0.14   0.03
    11   1    -0.34  -0.09  -0.09     0.02  -0.01   0.16     0.06   0.11   0.01
    12   1     0.03  -0.14   0.00    -0.27   0.07   0.27    -0.09  -0.22  -0.20
    13   1     0.02  -0.15   0.01    -0.20  -0.04   0.25    -0.31   0.20  -0.08
    14   1     0.07  -0.23  -0.03    -0.00  -0.38   0.14    -0.16  -0.10  -0.17
    15   1     0.05  -0.00   0.41    -0.12   0.02  -0.06    -0.10  -0.14  -0.02
    16   1    -0.20   0.16  -0.04    -0.20   0.09  -0.23    -0.09  -0.14  -0.04
    17   1    -0.19   0.16   0.14    -0.11  -0.01   0.03     0.03  -0.26   0.24
                     10                     11                     12
                      A                      A                      A
 Frequencies --    689.4948               751.1866               768.7096
 Red. masses --      3.3460                 2.5690                 2.5216
 Frc consts  --      0.9372                 0.8541                 0.8779
 IR Inten    --      0.0056                 0.3001                 0.2901
 RamAct Fr= 1--     15.8531                 1.4438                 2.3575
  Dep-P Fr= 1--      0.0007                 0.7280                 0.3069
  Dep-U Fr= 1--      0.0013                 0.8426                 0.4697
 Alpha2 Fr= 1--      0.3517                 0.0005                 0.0237
 Beta2  Fr= 1--      0.0035                 0.2027                 0.1846
 AlphaG Fr= 1--      0.0001                 0.0000                 0.0000
 Gamma2 Fr= 1--     -0.0032                 0.0193                -0.0063
 Delta2 Fr= 1--     -0.0045                 0.0261                 0.0010
 Raman1 Fr= 1--      63.412                  5.775                  9.430
 ROA1   Fr= 1--      -0.448                  2.688                 -0.572
 CID1   Fr= 1--      -0.007                  0.465                 -0.061
 Raman2 Fr= 1--       0.042                  2.433                  2.215
 ROA2   Fr= 1--      -0.041                  0.254                 -0.159
 CID2   Fr= 1--      -0.955                  0.104                 -0.072
 Raman3 Fr= 1--       0.085                  4.866                  4.429
 ROA3   Fr= 1--      -0.448                  2.688                 -0.572
 CID3   Fr= 1--      -5.281                  0.552                 -0.129
 RC180  Fr= 1--      -0.997                  0.685                 -0.061
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.04   0.00     0.01   0.02  -0.06    -0.06  -0.01  -0.02
     2   6     0.18   0.01  -0.14    -0.08   0.06   0.05     0.02  -0.06  -0.02
     3   6    -0.12  -0.06  -0.08     0.04   0.08  -0.14    -0.04   0.17   0.02
     4   6    -0.11   0.19   0.06     0.01  -0.01  -0.01     0.05  -0.11  -0.04
     5   6     0.04  -0.11   0.16     0.04  -0.11   0.02    -0.11  -0.01   0.03
     6   1     0.15   0.01  -0.13    -0.04  -0.06  -0.03    -0.05   0.02   0.05
     7   1     0.24   0.07  -0.21    -0.34  -0.15   0.26     0.25   0.13  -0.21
     8   1     0.19   0.04  -0.19     0.04  -0.01  -0.04    -0.09   0.03   0.04
     9   1    -0.21  -0.25  -0.14    -0.33  -0.30  -0.17    -0.10  -0.15  -0.12
    10   1    -0.12  -0.17  -0.11     0.32   0.26   0.27     0.05  -0.05   0.05
    11   1    -0.08  -0.07  -0.04     0.01  -0.01   0.11     0.43   0.34   0.30
    12   1    -0.15   0.18   0.07     0.04  -0.05  -0.05    -0.02  -0.11  -0.00
    13   1    -0.18   0.25   0.08     0.02   0.01  -0.05    -0.00  -0.08   0.00
    14   1    -0.10   0.13   0.04    -0.01   0.05  -0.02     0.08  -0.22  -0.04
    15   1     0.08  -0.10   0.20     0.19  -0.14   0.40     0.04   0.11  -0.09
    16   1     0.15  -0.17   0.28     0.05   0.04   0.08     0.21  -0.12   0.36
    17   1     0.06  -0.11   0.15    -0.05   0.06  -0.05    -0.04   0.11  -0.21
                     13                     14                     15
                      A                      A                      A
 Frequencies --    781.1108               831.3875               876.6209
 Red. masses --      2.2918                 2.6466                 2.2219
 Frc consts  --      0.8239                 1.0778                 1.0060
 IR Inten    --      0.0041                 0.5515                 0.3079
 RamAct Fr= 1--      0.4654                 3.8321                 2.9152
  Dep-P Fr= 1--      0.7361                 0.7394                 0.6864
  Dep-U Fr= 1--      0.8480                 0.8502                 0.8140
 Alpha2 Fr= 1--      0.0001                 0.0007                 0.0033
 Beta2  Fr= 1--      0.0658                 0.5430                 0.3955
 AlphaG Fr= 1--     -0.0000                -0.0000                -0.0001
 Gamma2 Fr= 1--     -0.0196                -0.0598                 0.1604
 Delta2 Fr= 1--     -0.0189                -0.0962                 0.1808
 Raman1 Fr= 1--       1.862                 15.328                 11.661
 ROA1   Fr= 1--      -2.481                 -8.815                 21.185
 CID1   Fr= 1--      -1.333                 -0.575                  1.817
 Raman2 Fr= 1--       0.789                  6.516                  4.746
 ROA2   Fr= 1--      -0.318                 -0.665                  2.403
 CID2   Fr= 1--      -0.403                 -0.102                  0.506
 Raman3 Fr= 1--       1.579                 13.032                  9.492
 ROA3   Fr= 1--      -2.481                 -8.815                 21.185
 CID3   Fr= 1--      -1.572                 -0.676                  2.232
 RC180  Fr= 1--       0.696                  0.700                  0.628
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.06  -0.10  -0.05    -0.10  -0.00  -0.07
     2   6    -0.02   0.00  -0.02    -0.04  -0.13   0.01     0.05   0.13  -0.13
     3   6    -0.11   0.06   0.08     0.12   0.01   0.03     0.03  -0.02   0.10
     4   6     0.00   0.01   0.01    -0.11   0.14   0.04    -0.03  -0.05  -0.03
     5   6     0.11  -0.06  -0.08    -0.03  -0.08  -0.11    -0.06  -0.06   0.02
     6   1     0.18   0.09  -0.05    -0.04   0.04   0.10     0.43   0.11  -0.29
     7   1     0.03   0.00   0.08     0.32   0.15  -0.23    -0.19  -0.13   0.27
     8   1    -0.07  -0.07   0.17    -0.24  -0.05   0.20     0.13  -0.09   0.05
     9   1     0.06  -0.03  -0.04     0.18   0.22   0.12     0.24   0.26   0.16
    10   1    -0.24  -0.28  -0.20     0.20   0.22   0.19    -0.06  -0.00  -0.01
    11   1     0.29   0.25   0.15     0.01  -0.03  -0.01     0.06   0.03   0.01
    12   1     0.03  -0.15  -0.10    -0.09   0.24   0.08     0.05   0.14   0.04
    13   1    -0.12   0.14  -0.02     0.01   0.04   0.02     0.24  -0.28  -0.08
    14   1    -0.07  -0.00  -0.08    -0.09   0.24   0.09     0.01   0.16   0.08
    15   1     0.13  -0.19   0.40     0.18  -0.07   0.29     0.06  -0.04   0.16
    16   1    -0.20   0.21  -0.35     0.03   0.09   0.02     0.14  -0.11   0.25
    17   1    -0.06   0.03   0.06    -0.12   0.17  -0.27    -0.06   0.03  -0.10
                     16                     17                     18
                      A                      A                      A
 Frequencies --    926.4878               982.1823              1027.8596
 Red. masses --      1.8146                 1.6958                 1.4752
 Frc consts  --      0.9177                 0.9639                 0.9183
 IR Inten    --      0.1607                 0.0410                 0.1025
 RamAct Fr= 1--      3.2949                 2.1166                 0.4961
  Dep-P Fr= 1--      0.7354                 0.6434                 0.7392
  Dep-U Fr= 1--      0.8475                 0.7830                 0.8500
 Alpha2 Fr= 1--      0.0008                 0.0041                 0.0001
 Beta2  Fr= 1--      0.4654                 0.2762                 0.0703
 AlphaG Fr= 1--     -0.0000                 0.0000                 0.0000
 Gamma2 Fr= 1--     -0.1152                 0.0521                -0.0365
 Delta2 Fr= 1--     -0.1491                 0.0870                 0.0432
 Raman1 Fr= 1--      13.179                  8.467                  1.984
 ROA1   Fr= 1--     -15.831                  7.788                 -2.124
 CID1   Fr= 1--      -1.201                  0.920                 -1.070
 Raman2 Fr= 1--       5.585                  3.315                  0.843
 ROA2   Fr= 1--      -1.572                  0.555                 -1.222
 CID2   Fr= 1--      -0.281                  0.167                 -1.449
 Raman3 Fr= 1--      11.170                  6.629                  1.687
 ROA3   Fr= 1--     -15.831                  7.788                 -2.124
 CID3   Fr= 1--      -1.417                  1.175                 -1.259
 RC180  Fr= 1--       0.695                  0.566                  0.700
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.03  -0.10    -0.08  -0.05   0.06    -0.02  -0.00  -0.02
     2   6    -0.11  -0.05  -0.02     0.04  -0.01  -0.06     0.08   0.01   0.11
     3   6     0.01   0.01  -0.01     0.01   0.04  -0.05    -0.03   0.01   0.02
     4   6    -0.00   0.01  -0.08    -0.09  -0.08   0.06    -0.07  -0.01  -0.09
     5   6     0.11   0.03   0.13     0.07   0.05   0.05     0.04  -0.01  -0.01
     6   1     0.20   0.17  -0.03     0.15   0.02  -0.08    -0.33  -0.24   0.13
     7   1     0.12   0.05   0.06     0.12   0.03  -0.06    -0.12  -0.02  -0.15
     8   1    -0.27  -0.14   0.36     0.05  -0.05  -0.01     0.17   0.21  -0.33
     9   1     0.01   0.01  -0.01    -0.10  -0.05  -0.05    -0.02   0.04   0.03
    10   1     0.03   0.08   0.04     0.09   0.12   0.09    -0.07  -0.03  -0.04
    11   1     0.06   0.04  -0.01     0.08   0.05   0.07     0.09   0.06   0.07
    12   1    -0.20   0.34   0.20     0.30  -0.12  -0.14    -0.11   0.43   0.19
    13   1     0.07  -0.19   0.10     0.28  -0.22  -0.23     0.27  -0.40   0.00
    14   1     0.17  -0.26   0.05    -0.21   0.61   0.11     0.13   0.02   0.16
    15   1    -0.16  -0.08  -0.03    -0.11  -0.00  -0.13     0.01  -0.06   0.08
    16   1    -0.04  -0.15  -0.09    -0.12   0.02  -0.19    -0.03   0.01  -0.09
    17   1     0.16  -0.21   0.36     0.07  -0.03   0.15     0.03  -0.02   0.02
                     19                     20                     21
                      A                      A                      A
 Frequencies --   1078.0016              1078.3985              1085.2339
 Red. masses --      2.1926                 2.1895                 2.3184
 Frc consts  --      1.5012                 1.5002                 1.6087
 IR Inten    --      2.9218                 3.6871                 3.2841
 RamAct Fr= 1--      1.0323                 1.3985                 1.7153
  Dep-P Fr= 1--      0.6960                 0.7498                 0.6884
  Dep-U Fr= 1--      0.8208                 0.8570                 0.8155
 Alpha2 Fr= 1--      0.0010                 0.0000                 0.0019
 Beta2  Fr= 1--      0.1412                 0.1997                 0.2331
 AlphaG Fr= 1--      0.0000                -0.0000                -0.0000
 Gamma2 Fr= 1--      0.0714                -0.0837                 0.0495
 Delta2 Fr= 1--      0.0722                -0.0992                -0.0476
 Raman1 Fr= 1--       4.129                  5.594                  6.861
 ROA1   Fr= 1--       9.167                -11.209                  3.230
 CID1   Fr= 1--       2.220                 -2.004                  0.471
 Raman2 Fr= 1--       1.695                  2.397                  2.797
 ROA2   Fr= 1--       1.136                 -1.214                  1.568
 CID2   Fr= 1--       0.670                 -0.507                  0.561
 Raman3 Fr= 1--       3.389                  4.794                  5.595
 ROA3   Fr= 1--       9.167                -11.209                  3.230
 CID3   Fr= 1--       2.705                 -2.338                  0.577
 RC180  Fr= 1--       0.642                  0.714                  0.631
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02  -0.00    -0.01   0.01   0.01     0.01   0.01   0.01
     2   6     0.00  -0.01   0.01    -0.02  -0.01  -0.02    -0.02   0.00  -0.03
     3   6     0.05  -0.10   0.06     0.10  -0.02  -0.09     0.04   0.03   0.06
     4   6     0.01  -0.00   0.01     0.01   0.00  -0.00    -0.03  -0.00  -0.04
     5   6    -0.01   0.02  -0.03    -0.00  -0.02   0.01    -0.02  -0.15   0.08
     6   1    -0.03  -0.01   0.02     0.05   0.02  -0.02     0.08   0.05  -0.04
     7   1     0.02   0.01  -0.01     0.02   0.01   0.01     0.02   0.01   0.03
     8   1     0.01  -0.00  -0.01    -0.03  -0.03   0.06    -0.03  -0.05   0.07
     9   1    -0.30  -0.19   0.17    -0.49   0.35   0.36    -0.08  -0.20  -0.01
    10   1    -0.35   0.58  -0.20    -0.11  -0.04  -0.35    -0.09   0.07  -0.11
    11   1     0.33   0.18  -0.36     0.05  -0.23   0.53    -0.04   0.05  -0.17
    12   1     0.03  -0.08  -0.04    -0.01  -0.00   0.00    -0.05   0.16   0.07
    13   1    -0.03   0.05  -0.00    -0.03   0.03   0.01     0.09  -0.15   0.01
    14   1    -0.01   0.01  -0.01     0.01  -0.05  -0.02     0.04   0.01   0.05
    15   1    -0.08  -0.05   0.11     0.05   0.03  -0.03     0.42   0.22  -0.39
    16   1     0.06  -0.12  -0.00    -0.03   0.06   0.00    -0.24   0.57   0.07
    17   1    -0.00   0.02  -0.03     0.01  -0.02  -0.00    -0.03  -0.05  -0.01
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1099.0146              1193.4453              1229.0669
 Red. masses --      2.7196                 3.9136                 2.5988
 Frc consts  --      1.9353                 3.2842                 2.3130
 IR Inten    --      2.4901                 1.6063                 3.6819
 RamAct Fr= 1--      2.2088                 9.8688                 8.6516
  Dep-P Fr= 1--      0.0504                 0.7438                 0.7499
  Dep-U Fr= 1--      0.0960                 0.8531                 0.8571
 Alpha2 Fr= 1--      0.0436                 0.0010                 0.0000
 Beta2  Fr= 1--      0.0353                 1.4032                 1.2359
 AlphaG Fr= 1--     -0.0001                -0.0000                -0.0000
 Gamma2 Fr= 1--      0.0158                -0.5081                 0.5881
 Delta2 Fr= 1--      0.0331                -0.3616                 0.4365
 Raman1 Fr= 1--       8.835                 39.475                 34.606
 ROA1   Fr= 1--       2.574                -60.349                 70.423
 CID1   Fr= 1--       0.291                 -1.529                  2.035
 Raman2 Fr= 1--       0.424                 16.838                 14.830
 ROA2   Fr= 1--       0.115                 -9.301                 10.622
 CID2   Fr= 1--       0.270                 -0.552                  0.716
 Raman3 Fr= 1--       0.848                 33.676                 29.661
 ROA3   Fr= 1--       2.574                -60.349                 70.423
 CID3   Fr= 1--       3.035                 -1.792                  2.374
 RC180  Fr= 1--      -0.808                  0.706                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.05  -0.02    -0.18   0.38   0.09     0.25   0.09  -0.15
     2   6     0.02   0.03   0.01    -0.03  -0.08   0.04    -0.06  -0.05   0.03
     3   6    -0.17  -0.17  -0.12    -0.01  -0.10  -0.04    -0.07  -0.04   0.00
     4   6     0.04   0.04   0.01     0.06  -0.12  -0.02    -0.10  -0.05   0.06
     5   6     0.02  -0.03   0.06     0.01  -0.06  -0.07    -0.08   0.02  -0.04
     6   1    -0.01  -0.05  -0.02     0.20  -0.06  -0.05    -0.20   0.08   0.17
     7   1    -0.08  -0.03   0.01     0.25   0.16  -0.24     0.01  -0.01   0.06
     8   1     0.08   0.05  -0.09     0.10  -0.04  -0.18    -0.16  -0.02   0.15
     9   1     0.18   0.40   0.02     0.12   0.12   0.01     0.03   0.08   0.01
    10   1     0.07   0.29   0.36     0.07   0.05   0.12    -0.09  -0.07  -0.03
    11   1     0.48   0.09   0.14    -0.10  -0.14  -0.09     0.09   0.03   0.05
    12   1    -0.08  -0.04   0.01     0.13  -0.20  -0.10     0.27   0.02  -0.08
    13   1    -0.18   0.21   0.07     0.13  -0.16  -0.07     0.18  -0.09  -0.23
    14   1     0.00  -0.10  -0.07     0.06  -0.15  -0.04    -0.15   0.41   0.11
    15   1     0.10   0.09  -0.20     0.20  -0.04   0.24     0.11   0.10   0.05
    16   1    -0.11   0.19  -0.01     0.06   0.14   0.06     0.14   0.01   0.21
    17   1     0.03  -0.05   0.07    -0.02  -0.29   0.31     0.08  -0.38   0.29
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1239.4154              1313.5962              1324.8086
 Red. masses --      2.5138                 1.5260                 1.2712
 Frc consts  --      2.2752                 1.5514                 1.3145
 IR Inten    --      8.6673                 5.4904                 7.8374
 RamAct Fr= 1--      9.3305                 2.6469                 1.5060
  Dep-P Fr= 1--      0.7499                 0.7497                 0.7194
  Dep-U Fr= 1--      0.8571                 0.8569                 0.8368
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0008
 Beta2  Fr= 1--      1.3328                 0.3780                 0.2100
 AlphaG Fr= 1--     -0.0000                 0.0000                -0.0002
 Gamma2 Fr= 1--     -0.0763                -0.4400                 0.3537
 Delta2 Fr= 1--     -0.0671                -0.4608                 0.2850
 Raman1 Fr= 1--      37.322                 10.587                  6.024
 ROA1   Fr= 1--      -9.472                -56.983                 43.072
 CID1   Fr= 1--      -0.254                 -5.382                  7.150
 Raman2 Fr= 1--      15.994                  4.536                  2.520
 ROA2   Fr= 1--      -1.294                 -6.873                  6.209
 CID2   Fr= 1--      -0.081                 -1.515                  2.463
 Raman3 Fr= 1--      31.988                  9.073                  5.041
 ROA3   Fr= 1--      -9.472                -56.983                 43.072
 CID3   Fr= 1--      -0.296                 -6.281                  8.545
 RC180  Fr= 1--       0.714                  0.714                  0.674
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.11  -0.01   0.25     0.06   0.04  -0.08     0.01  -0.03   0.03
     2   6    -0.06   0.00  -0.11    -0.11   0.00   0.07    -0.02   0.01   0.02
     3   6    -0.05  -0.03  -0.06    -0.01  -0.01   0.01    -0.00   0.01  -0.00
     4   6    -0.04   0.01  -0.09    -0.02  -0.01   0.02    -0.00   0.01  -0.01
     5   6    -0.04   0.02  -0.10     0.02  -0.04   0.08    -0.07   0.04   0.01
     6   1    -0.10   0.39   0.15     0.20  -0.09  -0.11     0.25  -0.14  -0.18
     7   1     0.24   0.04   0.32     0.17   0.19   0.01    -0.04   0.04  -0.09
     8   1     0.29  -0.38  -0.04     0.49  -0.32  -0.36    -0.00   0.01  -0.01
     9   1    -0.05  -0.02  -0.06     0.03   0.03   0.02    -0.01  -0.02  -0.02
    10   1     0.02   0.05   0.08    -0.03  -0.04  -0.02     0.01   0.01   0.01
    11   1     0.07   0.01   0.02     0.00  -0.00   0.01     0.00   0.01  -0.00
    12   1    -0.11   0.30   0.12     0.08   0.00  -0.02    -0.01  -0.01  -0.01
    13   1     0.10  -0.26   0.10     0.04   0.01  -0.09     0.00  -0.04   0.05
    14   1     0.17  -0.07   0.15    -0.03   0.03  -0.00     0.03  -0.03   0.02
    15   1    -0.00  -0.00   0.09    -0.08  -0.05  -0.07     0.20   0.15   0.15
    16   1     0.06  -0.01  -0.00    -0.08  -0.09  -0.05    -0.12  -0.13  -0.12
    17   1    -0.06   0.03  -0.08    -0.02   0.38  -0.41     0.64  -0.44  -0.34
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1327.5321              1345.0993              1412.0616
 Red. masses --      1.4232                 1.4444                 1.2310
 Frc consts  --      1.4778                 1.5398                 1.4462
 IR Inten    --      0.9980                 1.6623                 3.9979
 RamAct Fr= 1--      4.4256                 5.1865                 0.1649
  Dep-P Fr= 1--      0.6723                 0.7176                 0.3152
  Dep-U Fr= 1--      0.8040                 0.8356                 0.4794
 Alpha2 Fr= 1--      0.0061                 0.0029                 0.0016
 Beta2  Fr= 1--      0.5931                 0.7223                 0.0132
 AlphaG Fr= 1--      0.0000                 0.0001                -0.0000
 Gamma2 Fr= 1--      0.7001                -0.7083                -0.0085
 Delta2 Fr= 1--      0.5060                -0.3737                -0.0064
 Raman1 Fr= 1--      17.702                 20.746                  0.660
 ROA1   Fr= 1--      83.404                -79.960                 -1.016
 CID1   Fr= 1--       4.711                 -3.854                 -1.540
 Raman2 Fr= 1--       7.117                  8.668                  0.158
 ROA2   Fr= 1--      12.755                -14.010                 -0.152
 CID2   Fr= 1--       1.792                 -1.616                 -0.959
 Raman3 Fr= 1--      14.234                 17.335                  0.316
 ROA3   Fr= 1--      83.404                -79.960                 -1.016
 CID3   Fr= 1--       5.860                 -4.613                 -3.213
 RC180  Fr= 1--       0.608                  0.671                 -0.041
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.08   0.05    -0.10  -0.09  -0.08    -0.01   0.01   0.00
     2   6    -0.06   0.04   0.06    -0.01   0.02   0.01    -0.01   0.00   0.01
     3   6    -0.00   0.01  -0.00     0.03   0.03   0.02     0.00   0.00   0.00
     4   6    -0.01   0.03  -0.01     0.03   0.03   0.03     0.07  -0.12  -0.04
     5   6    -0.00   0.02  -0.08    -0.00   0.04  -0.03    -0.00   0.00  -0.01
     6   1     0.51  -0.37  -0.39    -0.27   0.11   0.16     0.02  -0.04  -0.02
     7   1    -0.06   0.12  -0.20     0.16   0.06   0.18     0.02   0.02  -0.01
     8   1     0.08  -0.07  -0.03     0.47  -0.28  -0.30     0.04  -0.04  -0.01
     9   1    -0.04  -0.04  -0.01    -0.00  -0.02   0.02    -0.00  -0.01   0.00
    10   1    -0.00   0.01  -0.01     0.01  -0.01  -0.03     0.00  -0.00  -0.01
    11   1     0.02   0.02   0.01    -0.03   0.02   0.00    -0.02  -0.00  -0.01
    12   1    -0.01   0.04   0.00    -0.08  -0.12  -0.01    -0.20   0.40   0.36
    13   1     0.00  -0.03   0.04    -0.01   0.07  -0.00    -0.44   0.36   0.04
    14   1     0.05  -0.05   0.04    -0.08  -0.07  -0.12    -0.10   0.56  -0.01
    15   1    -0.05  -0.01  -0.02     0.08   0.07   0.03     0.01   0.01   0.02
    16   1     0.15   0.09   0.13     0.04   0.07   0.04     0.01  -0.00   0.00
    17   1    -0.28  -0.09   0.45     0.11  -0.41   0.39     0.02  -0.04   0.02
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1475.7595              1498.7003              1499.0631
 Red. masses --      1.0818                 1.0532                 1.0546
 Frc consts  --      1.3881                 1.3938                 1.3964
 IR Inten    --      4.2350                 5.6355                 5.7630
 RamAct Fr= 1--      1.4916                 3.7530                 3.5971
  Dep-P Fr= 1--      0.7500                 0.7492                 0.7496
  Dep-U Fr= 1--      0.8571                 0.8566                 0.8569
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.0000
 Beta2  Fr= 1--      0.2131                 0.5358                 0.5137
 AlphaG Fr= 1--     -0.0000                 0.0000                 0.0000
 Gamma2 Fr= 1--      0.0010                 0.0510                -0.0061
 Delta2 Fr= 1--      0.0050                 0.0061                -0.0110
 Raman1 Fr= 1--       5.966                 15.012                 14.388
 ROA1   Fr= 1--       0.254                  5.086                 -0.938
 CID1   Fr= 1--       0.043                  0.339                 -0.065
 Raman2 Fr= 1--       2.557                  6.430                  6.165
 ROA2   Fr= 1--      -0.016                  1.174                 -0.059
 CID2   Fr= 1--      -0.006                  0.183                 -0.010
 Raman3 Fr= 1--       5.114                 12.860                 12.329
 ROA3   Fr= 1--       0.254                  5.086                 -0.938
 CID3   Fr= 1--       0.050                  0.396                 -0.076
 RC180  Fr= 1--       0.714                  0.713                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.02  -0.01    -0.00   0.01  -0.03    -0.03  -0.02  -0.01
     2   6    -0.03  -0.06   0.03     0.00   0.00   0.00     0.00  -0.01   0.00
     3   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.01   0.00   0.00
     4   6     0.01   0.01  -0.01     0.00   0.01  -0.05    -0.04  -0.02  -0.01
     5   6    -0.00   0.00  -0.01     0.00  -0.00   0.01     0.00   0.00  -0.00
     6   1     0.42   0.53   0.14    -0.08  -0.06   0.00     0.03   0.09   0.03
     7   1    -0.03  -0.06   0.03     0.02   0.01   0.00     0.00  -0.01   0.02
     8   1    -0.10   0.44  -0.52     0.04  -0.07   0.04     0.01   0.05  -0.10
     9   1    -0.01  -0.01   0.01     0.01   0.01   0.00     0.00  -0.01   0.00
    10   1    -0.01  -0.00  -0.01     0.00  -0.01  -0.01     0.01   0.00  -0.00
    11   1     0.00   0.01   0.00    -0.00  -0.00   0.01    -0.01   0.00  -0.00
    12   1    -0.10  -0.07   0.00    -0.01  -0.35  -0.23     0.61   0.27  -0.13
    13   1    -0.01  -0.06   0.10    -0.25  -0.20   0.60    -0.26   0.31  -0.14
    14   1    -0.02   0.09  -0.01     0.27   0.32   0.39     0.35  -0.22   0.39
    15   1    -0.00   0.00  -0.01    -0.00  -0.00  -0.01     0.01   0.01  -0.00
    16   1     0.01   0.01   0.01    -0.00   0.00   0.01    -0.00   0.01  -0.00
    17   1    -0.02  -0.02   0.04    -0.01   0.01   0.01     0.01  -0.04   0.03
                     34                     35                     36
                      A                      A                      A
 Frequencies --   2170.0065              2206.9115              2244.6889
 Red. masses --      2.1314                 2.1898                 2.2674
 Frc consts  --      5.9133                 6.2839                 6.7313
 IR Inten    --     13.8798                14.6566                14.6600
 RamAct Fr= 1--     68.7395                69.7179                58.3825
  Dep-P Fr= 1--      0.0005                 0.0575                 0.1695
  Dep-U Fr= 1--      0.0009                 0.1087                 0.2899
 Alpha2 Fr= 1--      1.5259                 1.3528                 0.8587
 Beta2  Fr= 1--      0.0108                 1.2634                 2.8204
 AlphaG Fr= 1--     -0.0002                -0.0005                -0.0008
 Gamma2 Fr= 1--     -0.0058                -0.3227                 0.6193
 Delta2 Fr= 1--     -0.0057                -0.3043                 0.5794
 Raman1 Fr= 1--     274.958                278.872                233.530
 ROA1   Fr= 1--      -0.742                -40.719                 77.994
 CID1   Fr= 1--      -0.003                 -0.146                  0.334
 Raman2 Fr= 1--       0.130                 15.160                 33.845
 ROA2   Fr= 1--      -0.095                 -5.311                 10.228
 CID2   Fr= 1--      -0.731                 -0.350                  0.302
 Raman3 Fr= 1--       0.260                 30.320                 67.690
 ROA3   Fr= 1--      -0.742                -40.719                 77.994
 CID3   Fr= 1--      -2.857                 -1.343                  1.152
 RC180  Fr= 1--      -0.998                 -0.783                 -0.420
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     2   6    -0.00   0.00   0.00    -0.00   0.01   0.00     0.08  -0.13  -0.05
     3   6    -0.07  -0.07  -0.05    -0.00  -0.00  -0.00    -0.01   0.00  -0.00
     4   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     5   6     0.00   0.01  -0.00    -0.02  -0.12   0.05    -0.00  -0.00   0.00
     6   1    -0.00   0.00  -0.00    -0.01   0.00  -0.00     0.03  -0.04   0.06
     7   1     0.01  -0.02  -0.00     0.02  -0.04  -0.01    -0.47   0.82   0.26
     8   1    -0.00   0.00   0.01     0.00   0.00   0.00    -0.05  -0.05  -0.03
     9   1     0.21  -0.25   0.47     0.02  -0.01   0.03     0.01  -0.01   0.02
    10   1     0.44   0.13  -0.35     0.02   0.01  -0.02     0.02   0.01  -0.01
    11   1    -0.26   0.49   0.15    -0.01   0.03   0.01     0.01  -0.01  -0.00
    12   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.01    -0.00  -0.00  -0.00
    13   1     0.01  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    14   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    15   1     0.02  -0.03  -0.01    -0.33   0.59   0.17    -0.01   0.02   0.00
    16   1    -0.03  -0.01   0.02     0.52   0.15  -0.44     0.03   0.01  -0.03
    17   1     0.00   0.01  -0.00    -0.07  -0.06  -0.05    -0.00  -0.00  -0.00
                     37                     38                     39
                      A                      A                      A
 Frequencies --   2282.9695              2284.5432              2286.1115
 Red. masses --      2.3778                 2.3767                 2.3749
 Frc consts  --      7.3016                 7.3085                 7.3129
 IR Inten    --      0.0024                16.3845                33.7940
 RamAct Fr= 1--      5.6257                35.1715                64.9987
  Dep-P Fr= 1--      0.7500                 0.7489                 0.7492
  Dep-U Fr= 1--      0.8571                 0.8564                 0.8566
 Alpha2 Fr= 1--      0.0000                 0.0007                 0.0009
 Beta2  Fr= 1--      0.8037                 5.0203                 9.2796
 AlphaG Fr= 1--      0.0000                -0.0000                 0.0000
 Gamma2 Fr= 1--      0.0779                -0.2607                -0.1080
 Delta2 Fr= 1--      0.0881                -0.2478                -0.1200
 Raman1 Fr= 1--      22.503                140.686                259.995
 ROA1   Fr= 1--      10.302                -32.962                -14.206
 CID1   Fr= 1--       0.458                 -0.234                 -0.055
 Raman2 Fr= 1--       9.644                 60.243                111.355
 ROA2   Fr= 1--       1.166                 -4.275                 -1.632
 CID2   Fr= 1--       0.121                 -0.071                 -0.015
 Raman3 Fr= 1--      19.288                120.487                222.710
 ROA3   Fr= 1--      10.302                -32.962                -14.206
 CID3   Fr= 1--       0.534                 -0.274                 -0.064
 RC180  Fr= 1--       0.714                  0.713                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     2   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6     0.10  -0.05  -0.07    -0.03   0.13  -0.14     0.10  -0.05  -0.07
     4   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     5   6    -0.10   0.05   0.07     0.00   0.00   0.00     0.10  -0.05  -0.07
     6   1     0.00  -0.00  -0.00    -0.01  -0.00  -0.00    -0.00  -0.00   0.00
     7   1    -0.00   0.00  -0.00     0.01  -0.01  -0.01    -0.02   0.02   0.01
     8   1    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     9   1     0.00   0.00  -0.01     0.29  -0.34   0.66    -0.00   0.00  -0.01
    10   1    -0.37  -0.11   0.30    -0.31  -0.09   0.25    -0.37  -0.11   0.29
    11   1    -0.23   0.42   0.13     0.18  -0.33  -0.11    -0.22   0.42   0.13
    12   1     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    13   1    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    14   1     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.01  -0.00
    15   1     0.23  -0.41  -0.12     0.00  -0.00  -0.00    -0.23   0.42   0.12
    16   1     0.36   0.11  -0.31    -0.00  -0.00   0.01    -0.37  -0.11   0.31
    17   1    -0.01   0.00   0.01     0.00  -0.00   0.00     0.00  -0.00  -0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --   3021.1647              3044.2291              3064.2489
 Red. masses --      1.0345                 1.0603                 1.0829
 Frc consts  --      5.5634                 5.7895                 5.9910
 IR Inten    --     27.2727                29.0930                25.1897
 RamAct Fr= 1--    132.5053               130.8168               110.4880
  Dep-P Fr= 1--      0.0009                 0.0671                 0.1629
  Dep-U Fr= 1--      0.0018                 0.1257                 0.2801
 Alpha2 Fr= 1--      2.9384                 2.4808                 1.6528
 Beta2  Fr= 1--      0.0396                 2.7403                 5.1586
 AlphaG Fr= 1--     -0.0004                 0.0015                 0.0010
 Gamma2 Fr= 1--      0.0575                -2.0021                 3.5984
 Delta2 Fr= 1--      0.0532                -1.8737                 3.3650
 Raman1 Fr= 1--     530.021                523.267                441.952
 ROA1   Fr= 1--       7.221               -252.156                453.121
 CID1   Fr= 1--       0.014                 -0.482                  1.025
 Raman2 Fr= 1--       0.475                 32.883                 61.903
 ROA2   Fr= 1--       0.954                -33.060                 59.441
 CID2   Fr= 1--       2.010                 -1.005                  0.960
 Raman3 Fr= 1--       0.949                 65.767                123.807
 ROA3   Fr= 1--       7.221               -252.156                453.121
 CID3   Fr= 1--       7.607                 -3.834                  3.660
 RC180  Fr= 1--      -0.996                 -0.749                 -0.440
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     2   6    -0.00  -0.01   0.00     0.02   0.06  -0.02     0.00  -0.01   0.01
     3   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     4   6    -0.02   0.04   0.01    -0.00   0.00   0.00     0.01   0.00   0.00
     5   6    -0.00  -0.00  -0.00    -0.01  -0.01  -0.00    -0.05  -0.05  -0.04
     6   1    -0.03   0.03  -0.06     0.25  -0.30   0.58    -0.04   0.06  -0.10
     7   1    -0.00   0.00   0.00     0.01  -0.01  -0.01    -0.00   0.00   0.00
     8   1     0.05   0.04   0.03    -0.46  -0.42  -0.32     0.02   0.02   0.01
     9   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    10   1     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    11   1     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    12   1     0.21  -0.25   0.47     0.02  -0.02   0.04    -0.02   0.02  -0.04
    13   1    -0.37  -0.35  -0.26    -0.03  -0.03  -0.02    -0.04  -0.03  -0.03
    14   1     0.43   0.12  -0.35     0.06   0.01  -0.05    -0.07  -0.02   0.06
    15   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.01   0.01   0.00
    16   1     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.01  -0.00  -0.01
    17   1     0.02   0.02   0.02     0.07   0.07   0.05     0.63   0.59   0.46
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3080.7842              3083.7833              3086.5156
 Red. masses --      1.1024                 1.1015                 1.1011
 Frc consts  --      6.1648                 6.1719                 6.1804
 IR Inten    --      0.0055                37.1094                76.3116
 RamAct Fr= 1--     10.9568                68.2203               123.7478
  Dep-P Fr= 1--      0.7499                 0.7385                 0.7423
  Dep-U Fr= 1--      0.8571                 0.8496                 0.8521
 Alpha2 Fr= 1--      0.0000                 0.0134                 0.0162
 Beta2  Fr= 1--      1.5652                 9.6595                17.5744
 AlphaG Fr= 1--     -0.0000                 0.0000                -0.0001
 Gamma2 Fr= 1--      0.1255                -0.1535                -1.6401
 Delta2 Fr= 1--      0.1304                -0.1416                -1.5232
 Raman1 Fr= 1--      43.827                272.881                494.991
 ROA1   Fr= 1--      16.219                -19.265               -206.188
 CID1   Fr= 1--       0.370                 -0.071                 -0.417
 Raman2 Fr= 1--      18.782                115.914                210.892
 ROA2   Fr= 1--       1.969                 -2.550                -27.177
 CID2   Fr= 1--       0.105                 -0.022                 -0.129
 Raman3 Fr= 1--      37.564                231.828                421.784
 ROA3   Fr= 1--      16.219                -19.265               -206.188
 CID3   Fr= 1--       0.432                 -0.083                 -0.489
 RC180  Fr= 1--       0.714                  0.699                  0.704
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     2   6    -0.04  -0.01  -0.05     0.00  -0.00   0.00    -0.04  -0.01  -0.05
     3   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     4   6     0.04   0.01   0.05    -0.06  -0.05   0.06    -0.04  -0.01  -0.05
     5   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.01  -0.01  -0.00
     6   1     0.17  -0.23   0.41    -0.02   0.02  -0.04     0.16  -0.22   0.41
     7   1    -0.00  -0.00  -0.01    -0.00   0.00   0.00    -0.00  -0.00  -0.01
     8   1     0.32   0.31   0.21    -0.00  -0.01  -0.00     0.33   0.31   0.21
     9   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    10   1     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    11   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    12   1    -0.18   0.23  -0.41    -0.18   0.19  -0.35     0.16  -0.22   0.38
    13   1    -0.32  -0.32  -0.22     0.23   0.23   0.19     0.32   0.33   0.23
    14   1     0.01   0.00   0.01     0.61   0.15  -0.50     0.02   0.01  -0.04
    15   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    16   1     0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    17   1    -0.00  -0.00  -0.00     0.04   0.04   0.03     0.07   0.06   0.05

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  1 and mass   1.00783
 Atom     7 has atomic number  1 and mass   2.01410
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   2.01410
 Atom    10 has atomic number  1 and mass   2.01410
 Atom    11 has atomic number  1 and mass   2.01410
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   2.01410
 Atom    16 has atomic number  1 and mass   2.01410
 Atom    17 has atomic number  1 and mass   1.00783
 Molecular mass:    78.13156 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   465.12813 472.15443 479.04735
           X            0.69946  -0.40291  -0.59027
           Y            0.27286  -0.61281   0.74163
           Z            0.66053   0.67980   0.31870
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.18622     0.18344     0.18080
 Rotational constants (GHZ):           3.88009     3.82235     3.76735
 Zero-point vibrational energy     366685.4 (Joules/Mol)
                                   87.63992 (Kcal/Mol)
 Warning -- explicit consideration of   9 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    231.25   300.59   330.26   379.67   429.58
          (Kelvin)            442.90   523.71   553.50   570.70   992.03
                             1080.79  1106.00  1123.84  1196.18  1261.26
                             1333.01  1413.14  1478.86  1551.00  1551.57
                             1561.41  1581.24  1717.10  1768.35  1783.24
                             1889.97  1906.10  1910.02  1935.30  2031.64
                             2123.29  2156.30  2156.82  3122.16  3175.25
                             3229.61  3284.68  3286.95  3289.20  4346.78
                             4379.97  4408.77  4432.56  4436.88  4440.81
 
 Zero-point correction=                           0.139663 (Hartree/Particle)
 Thermal correction to Energy=                    0.147315
 Thermal correction to Enthalpy=                  0.148259
 Thermal correction to Gibbs Free Energy=         0.109603
 Sum of electronic and zero-point Energies=           -197.732194
 Sum of electronic and thermal Energies=              -197.724542
 Sum of electronic and thermal Enthalpies=            -197.723598
 Sum of electronic and thermal Free Energies=         -197.762254
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   92.441             29.040             81.358
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             38.982
 Rotational               0.889              2.981             26.156
 Vibrational             90.664             23.078             16.219
 Vibration     1          0.622              1.891              2.541
 Vibration     2          0.642              1.827              2.053
 Vibration     3          0.652              1.796              1.883
 Vibration     4          0.670              1.739              1.636
 Vibration     5          0.692              1.676              1.425
 Vibration     6          0.698              1.659              1.374
 Vibration     7          0.738              1.546              1.105
 Vibration     8          0.754              1.503              1.021
 Vibration     9          0.763              1.477              0.975
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.385467D-50        -50.414013       -116.082555
 Total V=0       0.670648D+14         13.826494         31.836680
 Vib (Bot)       0.122301D-62        -62.912570       -144.861546
 Vib (Bot)    1  0.125754D+01          0.099521          0.229156
 Vib (Bot)    2  0.951093D+00         -0.021777         -0.050143
 Vib (Bot)    3  0.858226D+00         -0.066398         -0.152888
 Vib (Bot)    4  0.734642D+00         -0.133924         -0.308372
 Vib (Bot)    5  0.637466D+00         -0.195543         -0.450254
 Vib (Bot)    6  0.615049D+00         -0.211091         -0.486054
 Vib (Bot)    7  0.502209D+00         -0.299116         -0.688739
 Vib (Bot)    8  0.468437D+00         -0.329349         -0.758354
 Vib (Bot)    9  0.450448D+00         -0.346355         -0.797512
 Vib (V=0)       0.212783D+02          1.327938          3.057689
 Vib (V=0)    1  0.185329D+01          0.267944          0.616964
 Vib (V=0)    2  0.157451D+01          0.197146          0.453946
 Vib (V=0)    3  0.149325D+01          0.174133          0.400957
 Vib (V=0)    4  0.138865D+01          0.142593          0.328332
 Vib (V=0)    5  0.131016D+01          0.117325          0.270151
 Vib (V=0)    6  0.129264D+01          0.111479          0.256690
 Vib (V=0)    7  0.120867D+01          0.082308          0.189521
 Vib (V=0)    8  0.118515D+01          0.073774          0.169871
 Vib (V=0)    9  0.117298D+01          0.069291          0.159549
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.271452D+08          7.433694         17.116712
 Rotational      0.116108D+06          5.064863         11.662278
 
                                                          ROA calculations.
                                                             IR Spectrum
 
   333333                            2222 22                          111 11111  111 1111 1                                          
   000000                            2222 21                          444 43333  221 0000 0 9 9 8 8 777 6           33332 222 1      
   888642                            8884 07                          997 14221  329 9877 2 8 2 7 3 865 8           98609 630 6      
   741441                            6535 70                          996 25854  993 9588 8 2 6 7 1 191 9           75489 409 1      
 
   XX XXX                            XX X XX                          XXX XXXXX  XXX XXXX X   X X X  XX                              
   XX XXX                            XX X XX                          X      X   X                                                   
   XX XXX                            XX X XX                                                                                         
   XX XXX                            XX X XX                                                                                         
   XX XXX                            X                                                                                               
   XX XXX                            X                                                                                               
   XX XXX                            X                                                                                               
   XX  X                             X                                                                                               
   XX                                X                                                                                               
   XX                                                                                                                                
   X                                                                                                                                 
   X                                                                                                                                 
   X                                                                                                                                 
   X                                                                                                                                 
   X                                                                                                                                 
   X                                                                                                                                 
   X                                                                                                                                 
   X                                                                                                                                 
   X                                                                                                                                 
   X                                                                                                                                 
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000016848   -0.000037164    0.000026376
      2        6           0.000001358    0.000007517    0.000003690
      3        6           0.000004725    0.000008246   -0.000015373
      4        6          -0.000008279    0.000000156    0.000003444
      5        6          -0.000002128   -0.000001408    0.000000971
      6        1           0.000000174    0.000004260   -0.000004700
      7        1          -0.000009109    0.000004069    0.000001894
      8        1           0.000005527    0.000000824   -0.000002879
      9        1          -0.000001352    0.000001441   -0.000000360
     10        1           0.000003279   -0.000001285    0.000003625
     11        1          -0.000002284   -0.000001459   -0.000000562
     12        1           0.000001766   -0.000001317   -0.000002862
     13        1           0.000003678    0.000001538   -0.000001146
     14        1          -0.000008347    0.000008371   -0.000000096
     15        1          -0.000000343    0.000000304   -0.000001242
     16        1          -0.000001587    0.000006311   -0.000006905
     17        1          -0.000003928   -0.000000406   -0.000003876
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000037164 RMS     0.000008117
 Z-matrix is all fixed cartesians, so copy forces.
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.666948D+02  0.236819D-02  0.459123D-02
      2   0.236819D-02  0.666918D+02  0.457507D-02
      3   0.459123D-02  0.457507D-02  0.667046D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.498498D-03 -0.775470D-02 -0.588021D-02
      2   0.512963D-02  0.127804D-02  0.984258D-02
      3  -0.337770D-02 -0.257091D-02 -0.770889D-03
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.376819D+00  0.176266D-01  0.135261D+01
      2   0.172847D+01 -0.106387D+01 -0.491460D+00
      3  -0.135165D+01  0.104625D+01 -0.861151D+00
      4   0.206161D-01  0.174710D+01  0.183600D+01
      5   0.136367D+01  0.183857D+01 -0.132212D+01
      6   0.184533D+01 -0.487273D+00  0.104681D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    51 ND12= 1 LenFil=    1839:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.106575D+01  0.637128D-01  0.404394D+01  0.869195D-01  0.510857D+01
      2   0.637128D-01  0.509317D+01  0.540504D+01  0.510857D+01 -0.311879D+01
      3   0.404394D+01  0.540504D+01 -0.392927D+01  0.542048D+01 -0.149001D+01
                 6             7             8             9            10 
      1   0.542048D+01  0.399393D+01  0.544267D+01 -0.401466D+01 -0.651143D+00
      2  -0.149001D+01  0.544267D+01 -0.152802D+01  0.306682D+01 -0.565017D-01
      3   0.311678D+01 -0.401466D+01  0.306682D+01 -0.259667D+01 -0.275675D+01
                11            12            13            14            15 
      1  -0.565017D-01 -0.275675D+01  0.199276D+00 -0.466817D+01 -0.404731D+01
      2  -0.365309D+01 -0.406102D+01 -0.466817D+01  0.149283D+01  0.194386D+01
      3  -0.406102D+01  0.339008D+01 -0.404731D+01  0.194386D+01 -0.201539D+01
                16            17            18            19            20 
      1  -0.362993D+01 -0.403695D+01  0.239392D+01  0.222706D+01  0.257465D+00
      2  -0.403695D+01  0.107816D+01 -0.226205D+01  0.257465D+00 -0.410905D+01
      3   0.239392D+01 -0.226205D+01  0.322028D+01 -0.262104D+01 -0.428543D+01
                21            22            23            24            25 
      1  -0.262104D+01 -0.589610D+00 -0.320330D+01 -0.428654D+01 -0.318454D+01
      2  -0.428543D+01 -0.320330D+01  0.363907D+01  0.129852D+01 -0.423739D+01
      3   0.258211D+01 -0.428654D+01  0.129852D+01 -0.238165D+01  0.346544D+01
                26            27            28            29            30 
      1  -0.423739D+01  0.346544D+01  0.208130D+01 -0.880994D+00 -0.307209D+01
      2   0.669492D+00 -0.150352D+01 -0.880994D+00 -0.433158D+01 -0.406206D+01
      3  -0.150352D+01  0.307093D+01 -0.307209D+01 -0.406206D+01  0.282328D+01
                31            32            33            34            35 
      1   0.254201D+00 -0.370245D+01 -0.406800D+01 -0.267407D+01 -0.407090D+01
      2  -0.370245D+01  0.928855D+00  0.112364D+01 -0.407090D+01  0.150339D+01
      3  -0.406800D+01  0.112364D+01 -0.220783D+01  0.344354D+01 -0.331095D+01
                36            37            38            39            40 
      1   0.344354D+01 -0.344495D+00  0.495081D+00 -0.384654D+01 -0.118179D+00
      2  -0.331095D+01  0.495081D+00 -0.348815D+01 -0.413914D+01 -0.396253D+01
      3   0.101180D+01 -0.384654D+01 -0.413914D+01  0.332255D+01 -0.416337D+01
                41            42            43            44            45 
      1  -0.396253D+01 -0.416337D+01 -0.266693D+01 -0.412972D+01  0.288226D+01
      2   0.343218D+01  0.181807D+00 -0.412972D+01  0.129476D+01 -0.224874D+01
      3   0.181807D+00 -0.288495D+01  0.288226D+01 -0.224874D+01  0.551984D+00
                46            47            48            49            50 
      1  -0.694570D+00  0.434123D+00 -0.618879D+00  0.722998D+00  0.271220D+00
      2   0.434123D+00 -0.546543D+00  0.103917D+01  0.271220D+00  0.183587D+01
      3  -0.618879D+00  0.103917D+01 -0.226861D+01  0.372219D+00 -0.207368D+01
                51            52            53            54            55 
      1   0.372219D+00 -0.106165D+01  0.411297D+00 -0.363651D+00  0.319858D+01
      2  -0.207368D+01  0.411297D+00 -0.207359D+01  0.252493D+01 -0.178324D+01
      3   0.282621D+01 -0.363651D+00  0.252493D+01 -0.705317D+01 -0.102862D+01
                56            57            58            59            60 
      1  -0.178324D+01 -0.102862D+01 -0.328453D+01  0.282607D+01  0.176352D+01
      2   0.214833D+01  0.104011D+01  0.282607D+01 -0.446971D+01 -0.172754D+01
      3   0.104011D+01  0.880003D+00  0.176352D+01 -0.172754D+01 -0.193105D+01
                61            62            63            64            65 
      1  -0.689295D+00  0.955903D+00  0.897702D+00  0.494515D+01  0.239194D+01
      2   0.955903D+00 -0.110833D+01 -0.876253D+00  0.239194D+01  0.245363D+01
      3   0.897702D+00 -0.876253D+00 -0.169668D+01  0.817986D+00  0.722884D+00
                66            67            68            69            70 
      1   0.817986D+00  0.309804D+01  0.281994D+01  0.669452D+00  0.248303D+01
      2   0.722884D+00  0.281994D+01  0.309163D+01  0.365589D+00  0.142639D+01
      3   0.846139D+00  0.669452D+00  0.365589D+00  0.122839D+01  0.779757D+00
                71            72            73            74            75 
      1   0.142639D+01  0.779757D+00 -0.228753D+01  0.290429D+00 -0.160424D+01
      2   0.132031D+01  0.963656D+00  0.290429D+00 -0.283955D+00  0.650619D+00
      3   0.963656D+00  0.883943D+00 -0.160424D+01  0.650619D+00 -0.223844D+01
                76            77            78            79            80 
      1   0.137012D+01 -0.327473D+00  0.140607D+01 -0.219333D+01  0.583664D+00
      2  -0.327473D+00  0.813189D+00 -0.116551D+01  0.583664D+00 -0.145300D+01
      3   0.140607D+01 -0.116551D+01  0.242820D+01 -0.290965D+01  0.876793D+00
                81            82            83            84            85 
      1  -0.290965D+01 -0.609844D+01 -0.191713D+01  0.190606D+01 -0.120222D+01
      2   0.876793D+00 -0.191713D+01 -0.139600D+01  0.853715D+00 -0.104331D+01
      3  -0.639555D+01  0.190606D+01  0.853715D+00 -0.195077D+01  0.778420D+00
                86            87            88            89            90 
      1  -0.104331D+01  0.778420D+00  0.355472D+01  0.152659D+01 -0.205317D+01
      2  -0.153188D+01  0.445568D+00  0.152659D+01  0.138267D+01 -0.622483D+00
      3   0.445568D+00 -0.324958D+00 -0.205317D+01 -0.622483D+00  0.188148D+01
                91            92            93            94            95 
      1   0.103990D+01 -0.119812D+01 -0.216209D+00 -0.144532D+01  0.115519D+01
      2  -0.119812D+01  0.309517D+01  0.122996D+01  0.115519D+01 -0.740970D+01
      3  -0.216209D+00  0.122996D+01  0.816477D+00  0.550480D+00 -0.215081D+01
                96            97            98            99           100 
      1   0.550480D+00 -0.180416D+00  0.582386D+00 -0.481090D-02 -0.201773D+01
      2  -0.215081D+01  0.582386D+00 -0.165654D+01 -0.132249D+01  0.139821D+01
      3  -0.160719D+01 -0.481090D-02 -0.132249D+01 -0.149361D+01 -0.948672D+00
               101           102           103           104           105 
      1   0.139821D+01 -0.948672D+00  0.112894D+01 -0.101039D+01  0.106620D+01
      2  -0.109239D+01  0.112081D+01 -0.101039D+01  0.299919D+01 -0.172492D+01
      3   0.112081D+01 -0.153863D+01  0.106620D+01 -0.172492D+01  0.183796D+01
               106           107           108           109           110 
      1  -0.189305D+01  0.181009D+01 -0.192044D+01  0.207486D+01  0.176076D+01
      2   0.181009D+01 -0.336898D+01  0.255380D+01  0.176076D+01  0.365130D+01
      3  -0.192044D+01  0.255380D+01 -0.409985D+01  0.127052D+01  0.166288D+01
               111           112           113           114           115 
      1   0.127052D+01  0.146375D+01  0.173458D+01  0.984962D+00  0.126293D+01
      2   0.166288D+01  0.173458D+01  0.478377D+01  0.177125D+01  0.102741D+01
      3   0.138971D+01  0.984962D+00  0.177125D+01  0.176688D+01  0.566041D+00
               116           117           118           119           120 
      1   0.102741D+01  0.566041D+00 -0.548586D+01  0.604697D+00  0.296312D+01
      2   0.221925D+01  0.205068D+01  0.604697D+00 -0.965228D+00  0.289303D-01
      3   0.205068D+01  0.200579D+01  0.296312D+01  0.289303D-01 -0.282503D+01
               121           122           123           124           125 
      1  -0.920143D+00 -0.317228D+00  0.768913D+00  0.324994D+01 -0.472019D-01
      2  -0.317228D+00 -0.309657D+00  0.400345D+00 -0.472019D-01  0.968251D+00
      3   0.768913D+00  0.400345D+00 -0.459900D+00 -0.277981D+01  0.614430D+00
               126           127           128           129           130 
      1  -0.277981D+01  0.241697D+01 -0.212481D+01  0.479057D+00 -0.240188D+01
      2   0.614430D+00 -0.212481D+01  0.290762D+01  0.154963D+00  0.300060D+01
      3   0.326497D+01  0.479057D+00  0.154963D+00  0.522330D+00  0.886921D-01
               131           132           133           134           135 
      1   0.300060D+01  0.886921D-01 -0.462600D+00  0.851911D+00  0.178205D+00
      2  -0.667938D+01  0.373670D+00  0.851911D+00 -0.130138D+01 -0.526301D+00
      3   0.373670D+00 -0.120442D+01  0.178205D+00 -0.526301D+00 -0.411311D+00
               136           137           138           139           140 
      1  -0.316791D+01 -0.962397D+00  0.262738D+01 -0.662014D+00 -0.409517D+00
      2  -0.962397D+00 -0.122877D+01  0.153025D+01 -0.409517D+00 -0.133409D+01
      3   0.262738D+01  0.153025D+01 -0.413056D+01  0.848298D+00  0.113201D+01
               141           142           143           144           145 
      1   0.848298D+00  0.210760D+01  0.888389D+00 -0.218852D+01  0.382961D+01
      2   0.113201D+01  0.888389D+00  0.110457D+01 -0.114759D+01  0.122677D+01
      3  -0.881809D+00 -0.218852D+01 -0.114759D+01  0.479240D+01  0.260497D+01
               146           147           148           149           150 
      1   0.122677D+01  0.260497D+01  0.229967D+01  0.172820D+01  0.184751D+01
      2   0.174553D+01  0.110833D+01  0.172820D+01  0.183661D+01  0.129620D+01
      3   0.110833D+01  0.230863D+01  0.184751D+01  0.129620D+01  0.269473D+01
               151           152           153 
      1   0.198367D+01  0.101545D+01  0.162785D+01
      2   0.101545D+01  0.948972D+00  0.116927D+01
      3   0.162785D+01  0.116927D+01  0.306326D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.107136D-01  0.343633D-02  0.333578D-02  0.128726D-01 -0.853846D-02
      2  -0.800793D-02  0.476242D-02  0.466656D+01 -0.725529D-03 -0.108347D-02
      3  -0.304253D-01 -0.467744D+01 -0.148934D-01  0.466328D+01 -0.202118D-01
                 6             7             8             9            10 
      1  -0.467145D+01  0.180733D-01  0.464416D+01 -0.758298D-02  0.111338D+01
      2   0.352163D-02 -0.464359D+01 -0.797731D-02  0.944426D-02 -0.649911D+01
      3  -0.136610D-01  0.387770D-02 -0.338064D-02 -0.924012D-02 -0.862186D+00
                11            12            13            14            15 
      1   0.643223D+01  0.351227D+01  0.794463D+01 -0.180987D+01 -0.399136D+01
      2  -0.587246D+01  0.315547D+01 -0.548323D+01 -0.256418D+01 -0.749686D+01
      3   0.412099D+01  0.476106D+01  0.942276D+01 -0.309309D+01 -0.538432D+01
                16            17            18            19            20 
      1   0.402316D+01  0.772894D+00  0.707498D+00 -0.308740D+01 -0.191086D+01
      2  -0.328383D+01 -0.795737D+01  0.904668D+01  0.605819D+01  0.584651D+01
      3   0.431501D+01 -0.380244D+01  0.393801D+01 -0.387288D+01 -0.691517D+01
                21            22            23            24            25 
      1   0.700760D+01 -0.288327D+01 -0.270616D+01 -0.517637D+01  0.827603D+01
      2  -0.364746D+01  0.492375D+01 -0.409493D+01 -0.141727D+01 -0.896725D+01
      3  -0.276046D+01 -0.949447D+00  0.945023D+01  0.697661D+01 -0.182827D+01
                26            27            28            29            30 
      1   0.118600D+00  0.579513D+01  0.425481D+01  0.440688D+01 -0.680085D+01
      2  -0.272997D+01 -0.201574D+01  0.113425D+01  0.436592D+01  0.418913D+00
      3   0.595493D+01 -0.553975D+01  0.413166D+01 -0.811997D+01 -0.862120D+01
                31            32            33            34            35 
      1   0.479461D+01 -0.220136D+01  0.329612D+01 -0.806906D+01  0.911177D+01
      2   0.368423D+01  0.726439D+00  0.439547D+01 -0.386047D+01  0.565383D+01
      3  -0.177307D+01 -0.657429D+01 -0.552337D+01 -0.783011D+01 -0.510005D+01
                36            37            38            39            40 
      1  -0.208070D+01 -0.228036D+01 -0.891015D+01 -0.372721D+01 -0.984145D+01
      2  -0.187062D+01 -0.701165D+00 -0.434257D+01  0.109650D+02 -0.316926D+01
      3   0.241794D+01  0.626105D+00 -0.551087D-01  0.662290D+01  0.430716D+01
                41            42            43            44            45 
      1   0.676653D+01 -0.504746D+01 -0.420498D+01  0.114792D+01 -0.446149D+01
      2   0.593067D+01  0.453516D+01  0.494747D+01  0.502932D+01 -0.517922D+01
      3   0.196351D+00  0.391058D+01  0.539529D+01  0.291884D+01 -0.827424D+00
                46            47            48            49            50 
      1  -0.299758D+00  0.920030D+00  0.117457D+00 -0.401560D+00 -0.218979D+01
      2  -0.265797D+01  0.166747D+01 -0.221305D+01  0.278164D+01 -0.232318D+01
      3  -0.136009D+01 -0.780149D-01 -0.137434D+01  0.145950D+01 -0.191788D+01
                51            52            53            54            55 
      1  -0.217927D+00 -0.414148D+00  0.415904D+01  0.747301D+00  0.242050D+01
      2   0.435140D+01 -0.517020D+01  0.412878D+01 -0.957160D+01  0.247852D+01
      3   0.270537D+01 -0.228383D+01  0.282432D+01 -0.372370D+01  0.255075D+01
                56            57            58            59            60 
      1  -0.374998D+01 -0.710655D+00 -0.340458D+01  0.668990D+01 -0.537579D-01
      2  -0.508985D+00  0.170465D+01 -0.203908D+01  0.895781D+00 -0.197379D+01
      3  -0.564774D+01 -0.189620D+01 -0.225448D+01  0.871666D+01  0.251582D+01
                61            62            63            64            65 
      1  -0.152101D+01  0.279545D+01  0.904530D+00 -0.309024D+01 -0.287766D+01
      2  -0.882334D+00  0.109186D+00 -0.158225D+01  0.600095D+01  0.397554D+01
      3  -0.136173D+01  0.264710D+01  0.142464D+01 -0.379076D+00 -0.477889D+01
                66            67            68            69            70 
      1  -0.250403D+01 -0.317738D+01 -0.295998D+01 -0.300119D+01 -0.160563D+01
      2   0.462932D+01  0.407335D+01  0.365244D+01  0.419671D+01  0.211875D+01
      3  -0.896681D+00 -0.694961D+00 -0.415384D+01 -0.455103D+00 -0.157381D+00
                71            72            73            74            75 
      1  -0.766003D+00 -0.220731D+01 -0.195213D+01  0.200608D+01 -0.321762D+01
      2   0.272296D+01  0.310448D+01 -0.838727D+00 -0.633929D+00  0.290443D+01
      3  -0.205247D+01 -0.112648D+01  0.233987D+01 -0.203746D+01  0.257323D+01
                76            77            78            79            80 
      1   0.136615D+01 -0.305225D+01  0.233773D+01 -0.354652D+01  0.543651D+01
      2   0.574406D+00  0.120528D+01 -0.208730D+01 -0.117352D+01 -0.869976D+00
      3  -0.417351D+00  0.195051D+01 -0.256338D+01  0.258371D+01 -0.382576D+01
                81            82            83            84            85 
      1  -0.719105D+01  0.381221D+01  0.115737D+01 -0.399625D+01  0.171879D+01
      2   0.594949D+01 -0.615861D+01 -0.243643D+01  0.693864D+01 -0.200934D+01
      3   0.442485D+01  0.506670D+01 -0.205704D+01 -0.136379D+01  0.150084D+01
                86            87            88            89            90 
      1   0.120259D+01 -0.176353D+01 -0.316862D+01  0.484242D-01  0.323431D+01
      2  -0.122322D+01  0.170364D+01  0.342698D+01  0.146990D+01 -0.535476D+01
      3  -0.110853D+01 -0.512233D+00 -0.261431D+01  0.134969D+01  0.170584D+01
                91            92            93            94            95 
      1   0.828753D+00 -0.143822D+01  0.101135D+01 -0.534261D+00  0.429840D+01
      2   0.161648D+01 -0.206247D+01  0.200484D+00 -0.291862D+01  0.359486D+01
      3  -0.388499D+01  0.330063D+01  0.123690D+01  0.656499D+01 -0.922417D+01
                96            97            98            99           100 
      1  -0.291033D+01 -0.546456D+00  0.119543D+01 -0.118765D+01  0.189541D+01
      2   0.171082D+01 -0.121935D+01  0.182574D+01  0.126647D+01  0.816314D+00
      3  -0.305117D+01  0.167899D+01 -0.277518D+01 -0.129923D+01 -0.225576D+01
               101           102           103           104           105 
      1  -0.173128D+01  0.390118D+01 -0.231214D+01  0.301638D+01 -0.560438D+01
      2  -0.152947D+01  0.312483D+01 -0.743411D+00  0.198051D+01 -0.294070D+01
      3  -0.243789D+00 -0.348771D+00  0.251020D+01  0.140505D+01  0.344221D+00
               106           107           108           109           110 
      1   0.340466D+01 -0.249814D+01  0.895752D+01 -0.123942D+01 -0.594308D-02
      2   0.952981D-01 -0.258077D+01  0.545211D+01 -0.292630D+01 -0.193409D+01
      3  -0.255328D+01 -0.105449D+01 -0.826412D+00  0.616040D+01  0.345994D+01
               111           112           113           114           115 
      1  -0.255849D+01 -0.926073D+00  0.167857D+00 -0.410261D+01 -0.432239D+00
      2  -0.177874D+00 -0.259904D+01 -0.238797D+01 -0.131925D+01 -0.253963D+01
      3   0.316905D+01  0.635328D+01  0.580464D+01  0.330414D+01  0.418486D+01
               116           117           118           119           120 
      1  -0.508220D+00 -0.279059D+01 -0.437185D+01 -0.213177D+01  0.467459D+01
      2  -0.198080D+01 -0.117649D+01  0.116668D+01 -0.376645D+00  0.351788D+01
      3   0.301502D+01  0.242926D+01 -0.763614D+01 -0.287715D+01  0.473548D+01
               121           122           123           124           125 
      1  -0.973024D+00 -0.119051D+01 -0.101619D+00  0.410618D+01  0.178992D+01
      2   0.800382D-01 -0.226472D+00  0.336437D+00 -0.973470D+00 -0.411839D+00
      3  -0.398900D+00 -0.132346D+01  0.119963D+01  0.524445D+01  0.251025D+01
               126           127           128           129           130 
      1  -0.442878D+01 -0.263827D+01  0.481245D+01  0.205711D+01  0.458504D+01
      2  -0.268870D+01 -0.288680D+01  0.313192D+01  0.134201D+01  0.370107D+01
      3  -0.371036D+01 -0.158195D+01 -0.179843D+01 -0.510869D+00  0.268148D+01
               131           132           133           134           135 
      1  -0.943160D+01 -0.390274D+01  0.103932D+01 -0.109541D+01 -0.185405D+01
      2  -0.438416D+01 -0.246015D+01 -0.227945D+00 -0.128232D+01 -0.986997D+00
      3   0.303207D+01 -0.211150D+00  0.315648D+00  0.399705D+00  0.248021D+00
               136           137           138           139           140 
      1   0.709334D+00 -0.205570D+01 -0.149781D+01  0.245730D+00 -0.144152D+01
      2   0.818890D+01  0.200124D+01 -0.397242D+01  0.226172D+01  0.110119D+01
      3   0.384616D+01 -0.561137D+00 -0.270966D+01  0.178137D+01  0.595160D+00
               141           142           143           144           145 
      1  -0.311395D+00 -0.429867D+00  0.283354D+01  0.243327D+01  0.391431D+01
      2  -0.179863D+01 -0.727659D+01 -0.214842D+01  0.529886D+01 -0.478083D+01
      3  -0.132881D+01 -0.311097D+01 -0.481070D+00  0.258359D+01 -0.285954D+01
               146           147           148           149           150 
      1   0.507309D+01  0.272803D+01  0.378314D+01  0.484827D+01  0.186542D+01
      2  -0.129467D+01 -0.200546D+00 -0.311751D+01 -0.188198D+01  0.260787D+00
      3  -0.438498D+01 -0.260359D+01 -0.140408D+01 -0.373381D+01 -0.191019D+01
               151           152           153 
      1   0.307250D+01  0.416489D+01  0.343148D+01
      2  -0.372290D+01 -0.971643D+00  0.295845D+00
      3  -0.198194D+01 -0.252501D+01 -0.210957D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.405469D+01 -0.323072D+01  0.293969D+01 -0.326392D+01 -0.151058D+01
      2  -0.159653D+01  0.346984D+01 -0.144497D+01  0.347846D+01  0.962980D+00
      3  -0.245816D+01 -0.239122D+00 -0.149472D+01 -0.214544D+00  0.547603D+00
      4  -0.334474D+01 -0.326154D+01 -0.980789D+00 -0.328799D+01  0.351864D+01
      5   0.302546D+01 -0.942779D+00 -0.415027D+01 -0.937547D+00 -0.142009D+01
      6  -0.973315D+00 -0.137812D+01 -0.327129D+00 -0.142578D+01 -0.415329D+01
                 6             7             8             9            10 
      1  -0.960204D+00  0.304284D+01 -0.920042D+00 -0.244832D+01 -0.513528D+01
      2  -0.414159D+01 -0.138958D+01 -0.418686D+01  0.608117D+00 -0.440840D+01
      3   0.510179D+01 -0.165326D+01  0.510690D+01  0.184020D+01  0.954368D+01
      4  -0.144450D+01 -0.951921D+00 -0.133991D+01 -0.189526D+00 -0.128771D+01
      5  -0.181302D+00 -0.424119D+01 -0.182449D+00 -0.158507D+01 -0.645934D+01
      6  -0.119358D+01 -0.186499D+00 -0.118964D+01  0.509514D+01 -0.439887D+01
                11            12            13            14            15 
      1  -0.434418D+01 -0.232353D+01 -0.463545D+01 -0.852161D+01 -0.145618D+02
      2  -0.650683D+01  0.383882D+01 -0.530256D+01  0.540864D+01  0.158014D+01
      3   0.108510D+02 -0.151529D+01  0.993801D+01  0.311297D+01  0.129817D+02
      4  -0.127643D+02 -0.103107D+02 -0.137310D+02  0.260790D+01  0.170196D+01
      5  -0.895070D+01  0.668898D+01 -0.983374D+01  0.674491D+01  0.316536D+01
      6   0.437899D+01  0.901466D+01  0.486113D+01 -0.400891D+01 -0.695612D+01
                16            17            18            19            20 
      1  -0.270622D+01 -0.147357D+02  0.142773D+02 -0.846007D+01 -0.923603D+01
      2   0.326719D+01  0.240500D+01 -0.179950D+01  0.260586D+01  0.666361D+01
      3  -0.560970D+00  0.123307D+02 -0.124778D+02  0.585422D+01  0.257242D+01
      4  -0.114937D+02  0.508089D+00 -0.846513D+00 -0.366379D+01  0.208425D+01
      5   0.697374D+01  0.247561D+01 -0.158070D+01  0.573909D+01  0.760523D+01
      6   0.733726D+01 -0.691475D+01  0.805191D+01  0.703266D+01  0.113943D+02
                21            22            23            24            25 
      1   0.562990D+01 -0.923211D+01  0.141715D+02  0.944507D+01  0.630857D+01
      2   0.910474D+01  0.525417D+01 -0.142065D+02 -0.113732D+02  0.803641D+01
      3  -0.147346D+02  0.397793D+01  0.349971D-01  0.192808D+01 -0.143450D+02
      4   0.114262D+02  0.307442D+01  0.393890D+01  0.508832D+01  0.122481D+02
      5  -0.590704D+01  0.783453D+01  0.446909D+01  0.851127D+01 -0.718131D+01
      6   0.245761D+00  0.101183D+02 -0.741105D+01 -0.135571D+01  0.181835D+00
                26            27            28            29            30 
      1   0.101125D+02 -0.549172D+01 -0.305737D+01  0.732294D+01  0.112638D+02
      2  -0.112637D+02  0.117305D+02  0.523897D+01 -0.968713D+01 -0.174663D+02
      3   0.115125D+01 -0.623881D+01 -0.218159D+01  0.236419D+01  0.620251D+01
      4   0.524044D+01  0.848984D+00  0.208848D+01 -0.279510D+00 -0.212881D+01
      5   0.701781D+01 -0.934824D+01  0.680141D+01  0.309542D+01 -0.105678D+02
      6  -0.507656D+00  0.120181D+01 -0.537275D+01 -0.139053D+02  0.446211D+01
                31            32            33            34            35 
      1   0.736157D+01  0.516717D+01  0.599794D+01  0.117360D+02  0.489102D+01
      2  -0.912356D+01 -0.143662D+01 -0.174047D+00 -0.171742D+02 -0.120530D+00
      3   0.176199D+01 -0.373056D+01 -0.582389D+01  0.543825D+01 -0.477049D+01
      4   0.255020D+00 -0.113377D+02 -0.118814D+02 -0.130458D+01 -0.128171D+02
      5   0.486345D+01 -0.717060D+01  0.926904D+00 -0.106575D+02  0.217743D+01
      6  -0.127817D+02  0.267953D+01 -0.893978D+01  0.515569D+01 -0.943000D+01
                36            37            38            39            40 
      1  -0.245453D+01  0.322181D+01  0.172355D+01 -0.104081D+02  0.198385D+01
      2  -0.272745D+01  0.393131D+01  0.144740D+02  0.256128D+01  0.140294D+02
      3   0.518198D+01 -0.715312D+01 -0.161975D+02  0.784678D+01 -0.160133D+02
      4   0.809332D+01 -0.160062D+01 -0.769834D+01 -0.182394D+00 -0.823825D+01
      5   0.451855D-02 -0.183019D+01 -0.300164D+01 -0.102002D+02 -0.405482D+01
      6   0.339016D+01  0.151805D+01 -0.372504D+01 -0.140711D+02 -0.413518D+01
                41            42            43            44            45 
      1  -0.354804D+01 -0.215489D+01 -0.112984D+02 -0.159957D+01 -0.395022D+00
      2  -0.730097D+01  0.427710D+01  0.389969D+01  0.350191D+01  0.287604D+01
      3   0.108490D+02 -0.212221D+01  0.739876D+01 -0.190235D+01 -0.248102D+01
      4   0.963291D+01  0.318201D+01 -0.677648D+00  0.505049D+01 -0.847291D+01
      5  -0.594918D+01 -0.129643D+02 -0.872570D+01 -0.120450D+02  0.874967D+01
      6   0.317888D+01  0.156034D+01 -0.130552D+02  0.140603D+01 -0.578918D+01
                46            47            48            49            50 
      1  -0.127137D+01  0.330827D+01 -0.576532D+01  0.299753D+01 -0.587175D+01
      2  -0.539550D+00 -0.106471D+01 -0.167061D+01 -0.912660D+00  0.242222D+01
      3   0.181092D+01 -0.224356D+01  0.743593D+01 -0.208487D+01  0.344953D+01
      4  -0.854186D+00  0.221001D+01 -0.146547D+00  0.379984D+01  0.221937D+01
      5   0.307505D+01 -0.688401D+00  0.285699D+01 -0.170432D+01 -0.266172D+01
      6  -0.178831D+01  0.304343D+01 -0.397593D+01  0.252401D+00 -0.868701D+01
                51            52            53            54            55 
      1   0.969006D+01 -0.443472D+01  0.925468D+01 -0.200461D+02  0.127885D+02
      2   0.336168D+00  0.120408D+01 -0.424072D+00 -0.103019D+02 -0.724377D+01
      3  -0.100262D+02  0.323064D+01 -0.883061D+01  0.303480D+02 -0.554472D+01
      4  -0.276808D+01 -0.737839D+00 -0.352162D+01  0.364810D+01 -0.779637D+01
      5   0.375184D+01  0.565309D+01  0.305999D+01 -0.913934D+01 -0.953478D+01
      6   0.116528D+02 -0.133149D+01  0.117836D+02 -0.154743D+02  0.469781D+01
                56            57            58            59            60 
      1  -0.570021D+01 -0.287165D+01 -0.915722D+01  0.295106D+01  0.135204D+01
      2   0.454826D+01  0.393787D+01  0.609017D+01  0.880266D+00 -0.402622D+01
      3   0.115195D+01 -0.106622D+01  0.306705D+01 -0.383132D+01  0.267418D+01
      4   0.107165D+02  0.407624D+01  0.121516D+02 -0.154890D+02 -0.501804D+01
      5   0.671857D+01  0.716461D+01  0.101921D+02 -0.761533D+01 -0.887568D+01
      6  -0.543618D+01 -0.352690D+01 -0.635550D+01  0.119284D+02  0.752723D+01
                61            62            63            64            65 
      1  -0.208407D+01  0.185554D+01 -0.131036D+01  0.221129D+02  0.896670D+01
      2   0.358894D+01 -0.281065D+01 -0.361954D+01 -0.612680D+01  0.117105D+01
      3  -0.150487D+01  0.955109D+00  0.492990D+01 -0.159861D+02 -0.101378D+02
      4   0.362638D+01 -0.357430D+01 -0.336742D+01  0.148781D+02  0.137140D+02
      5   0.671041D+01 -0.534172D+01 -0.649387D+01 -0.192019D+01 -0.537938D-01
      6  -0.369747D+01  0.650398D+01  0.289819D+01 -0.162021D+01 -0.295452D+01
                66            67            68            69            70 
      1   0.401759D+01  0.109843D+02  0.492965D+01  0.317205D+01  0.811123D+01
      2  -0.432879D-01  0.427868D+00  0.579188D+01  0.178088D+01 -0.205722D+01
      3  -0.397430D+01 -0.114122D+02 -0.107215D+02 -0.495293D+01 -0.605401D+01
      4   0.338896D+01  0.147963D+02  0.137547D+02  0.218457D+01  0.628909D+01
      5   0.483889D+01 -0.891867D+00 -0.106620D+01  0.372934D+01  0.337777D+01
      6   0.470485D+00 -0.259306D+01 -0.182926D+01  0.352345D+01  0.479019D+00
                71            72            73            74            75 
      1   0.323509D+01  0.115566D+01  0.719646D+01 -0.539481D+00  0.308978D+01
      2   0.224830D+01 -0.256735D+00 -0.787157D+01  0.167390D+01 -0.872123D+01
      3  -0.548339D+01 -0.898921D+00  0.675113D+00 -0.113442D+01  0.563145D+01
      4   0.549419D+01  0.347645D+01  0.144754D+01  0.303092D+01 -0.584350D+00
      5   0.249122D+01  0.447640D+01  0.954214D+01 -0.276013D+01  0.126690D+02
      6   0.220703D+01  0.121741D+01  0.289807D+00  0.306243D+00  0.221177D+01
                76            77            78            79            80 
      1  -0.260074D+01 -0.159886D+01 -0.336843D+00  0.408301D+01 -0.177467D+01
      2   0.349687D+01 -0.599144D+00  0.715911D+01 -0.101366D+02  0.589130D+01
      3  -0.896126D+00  0.219801D+01 -0.682227D+01  0.605363D+01 -0.411663D+01
      4   0.203084D+01 -0.362084D+01  0.259918D+01  0.381305D+00  0.384436D+01
      5  -0.581541D+01  0.298943D+01 -0.693736D+01  0.146008D+02 -0.320937D+01
      6   0.441444D+00 -0.256408D+01  0.324412D+01  0.224230D+01  0.504113D+01
                81            82            83            84            85 
      1  -0.318706D+01  0.256734D+02  0.561224D+01 -0.788859D+01  0.444780D+01
      2  -0.188809D+02 -0.792846D+01  0.153417D+01  0.583195D+00  0.143407D+01
      3   0.220680D+02 -0.177450D+02 -0.714641D+01  0.730540D+01 -0.588187D+01
      4   0.930422D-02  0.170728D+02  0.107629D+02 -0.587139D+01  0.908040D+01
      5   0.208719D+02 -0.399490D+01 -0.143224D+01  0.769619D+01 -0.115013D+01
      6   0.433536D+01 -0.387285D+01 -0.200965D+01  0.466141D+01 -0.240824D+01
                86            87            88            89            90 
      1   0.633557D+00 -0.195529D+01 -0.117908D+02 -0.200492D+01  0.471771D+01
      2   0.435309D+01 -0.966096D-01  0.265294D+01 -0.174813D+01 -0.318779D+01
      3  -0.498665D+01  0.205190D+01  0.913790D+01  0.375305D+01 -0.152991D+01
      4   0.625619D+01 -0.386920D+01 -0.926424D+01 -0.704475D+01  0.443826D+01
      5  -0.173018D+01  0.566482D+00  0.715143D+01  0.144979D+01 -0.670490D+01
      6  -0.222317D+00  0.324552D+01  0.425717D+01  0.310668D+01 -0.566047D+01
                91            92            93            94            95 
      1  -0.154613D+01  0.829347D+01  0.253689D+01  0.653232D+01 -0.219386D+02
      2   0.340079D+01 -0.104989D+02 -0.202613D+01 -0.599168D+01  0.321001D+02
      3  -0.185466D+01  0.220540D+01 -0.510763D+00 -0.540643D+00 -0.101615D+02
      4  -0.398169D+01  0.378945D+01  0.142946D+00  0.581197D+01  0.422307D+01
      5  -0.306777D+01  0.162322D+01  0.203561D+01  0.243645D+01 -0.314339D+00
      6   0.204821D+01 -0.634094D+01 -0.469619D+01 -0.313324D+01  0.174771D+02
                96            97            98            99           100 
      1  -0.801308D+01  0.117736D+01 -0.709401D+01 -0.464125D+01  0.449150D+01
      2   0.685893D+01 -0.172001D+01  0.615649D+01  0.176555D+01  0.204587D+00
      3   0.115415D+01  0.542650D+00  0.937525D+00  0.287570D+01 -0.469608D+01
      4   0.112210D+01  0.784411D-01  0.108343D+01  0.269409D+00 -0.848247D+01
      5   0.555531D+00  0.306141D+01 -0.250093D+00  0.147935D+01  0.329732D+01
      6   0.112086D+02 -0.179675D+01  0.989264D+01  0.647868D+01 -0.339901D+01
               101           102           103           104           105 
      1  -0.146351D+01  0.953316D+00 -0.124605D+01 -0.542591D+01  0.143558D+01
      2  -0.338371D+01  0.266131D+01 -0.332001D+01  0.132797D+02 -0.627031D+01
      3   0.484722D+01 -0.361463D+01  0.456607D+01 -0.785382D+01  0.483472D+01
      4   0.853017D+01 -0.522087D+01  0.795799D+01 -0.879699D+01  0.680417D+01
      5  -0.300807D+01  0.679227D+01 -0.260293D+01  0.406989D+01 -0.371633D+01
      6   0.458564D+01 -0.534616D+01  0.466944D+01 -0.754193D+01  0.992522D+01
               106           107           108           109           110 
      1   0.228955D+01  0.370025D+01 -0.260637D+01 -0.221351D+01 -0.884615D+01
      2   0.239735D+01 -0.103503D+02  0.275085D+01  0.388087D+01  0.132604D+02
      3  -0.468690D+01  0.665004D+01 -0.144480D+00 -0.166735D+01 -0.441427D+01
      4  -0.869605D+01  0.101006D+02 -0.766816D+01  0.893337D+01  0.719318D+01
      5   0.725069D+01 -0.481367D+01  0.923861D+01  0.298928D+01  0.171870D+01
      6  -0.605688D+01  0.114201D+02 -0.154813D+02  0.509116D+01  0.850020D+01
               111           112           113           114           115 
      1  -0.554117D+01 -0.632437D+01 -0.155687D+02 -0.782595D+01 -0.468944D+01
      2   0.410908D+01  0.800869D+01  0.234937D+02  0.736103D+01  0.383260D+01
      3   0.143208D+01 -0.168433D+01 -0.792500D+01  0.464911D+00  0.856843D+00
      4   0.376253D+01  0.732849D+01  0.486923D+01  0.297420D+01  0.416002D+01
      5   0.361312D+01  0.127390D+01  0.150505D+01  0.281862D-01  0.423084D+01
      6   0.684189D+01  0.557652D+01  0.125951D+02  0.109648D+02  0.355202D+01
               116           117           118           119           120 
      1  -0.862255D+01 -0.681647D+01  0.184141D+02  0.562904D+00 -0.715489D+01
      2   0.867724D+01  0.375159D+01 -0.133601D+02 -0.267929D+01  0.981737D+01
      3  -0.546941D-01  0.306488D+01 -0.505407D+01  0.211639D+01 -0.266248D+01
      4   0.276061D+01  0.140468D+01 -0.116603D+02  0.640272D+01  0.621644D+01
      5   0.459587D+00  0.119567D+01 -0.156232D+02  0.898252D+00  0.135053D+02
      6   0.116793D+02  0.956196D+01  0.661296D+01 -0.177473D+01 -0.694488D+01
               121           122           123           124           125 
      1   0.279350D+01  0.524878D+00 -0.120978D+01 -0.825265D+01 -0.170531D+01
      2  -0.301597D+01 -0.399423D+00  0.296393D+01  0.100434D+02  0.303792D+01
      3   0.222463D+00 -0.125455D+00 -0.175416D+01 -0.179075D+01 -0.133261D+01
      4   0.330725D+01  0.113101D+01 -0.108269D+01  0.725998D+01 -0.267389D+01
      5  -0.194975D+01 -0.172289D+01  0.165332D+01  0.135140D+02 -0.128464D+01
      6  -0.665000D+00 -0.240595D+00  0.280663D+01 -0.606645D+01  0.512861D+01
               126           127           128           129           130 
      1   0.184171D+01  0.489890D+01 -0.178728D+01 -0.362470D+00 -0.259234D+01
      2  -0.854580D+01  0.151656D+01 -0.750820D+01 -0.117652D+01 -0.700071D+01
      3   0.670409D+01 -0.641546D+01  0.929549D+01  0.153899D+01  0.959305D+01
      4  -0.586148D+01 -0.101108D+02  0.125132D+02 -0.377840D+00  0.132416D+02
      5  -0.127365D+02  0.458989D+01 -0.358730D+01  0.446130D+01 -0.480735D+01
      6   0.678248D+01 -0.391497D+01  0.634103D+01 -0.135147D+01  0.598631D+01
               131           132           133           134           135 
      1  -0.610686D+01  0.260770D+01 -0.110555D+01  0.368128D+00 -0.630614D+00
      2   0.230026D+02  0.139849D+01 -0.950835D+00  0.400097D+01  0.130666D+01
      3  -0.168957D+02 -0.400620D+01  0.205638D+01 -0.436910D+01 -0.676045D+00
      4  -0.177099D+02  0.553503D+00  0.230755D+01 -0.253596D+01 -0.152433D+01
      5   0.564366D+01 -0.224103D+01  0.248497D+01 -0.878047D+00 -0.127234D+01
      6  -0.130434D+02  0.631788D+01 -0.436463D+00  0.315624D+01  0.110847D+01
               136           137           138           139           140 
      1  -0.201374D+01 -0.369573D+01  0.933329D+01 -0.252059D+01 -0.341513D+01
      2  -0.419565D+01  0.541128D+00  0.555171D+01 -0.417421D+00  0.242440D+01
      3   0.620939D+01  0.315460D+01 -0.148850D+02  0.293801D+01  0.990734D+00
      4   0.632214D+01  0.444144D+01 -0.391633D+01  0.444008D+01  0.693099D+00
      5  -0.125316D+02 -0.280264D+01  0.110085D+02 -0.201564D+01 -0.183876D+01
      6  -0.500624D+01 -0.684682D+01  0.911895D+01 -0.354295D+01 -0.578480D+01
               141           142           143           144           145 
      1   0.470888D+01  0.698780D+01  0.502348D+01 -0.137102D+02  0.977153D+01
      2  -0.929475D+00  0.262520D+01 -0.686962D+00 -0.933168D+01 -0.119713D+02
      3  -0.377940D+01 -0.961300D+01 -0.433651D+01  0.230419D+02  0.219982D+01
      4  -0.220342D+01 -0.351292D+01 -0.188915D+01  0.382277D+01  0.204256D+01
      5   0.290504D+01  0.101974D+02  0.314029D+01 -0.845765D+01  0.159069D+02
      6   0.768608D+01  0.596877D+01  0.801964D+01 -0.109050D+02  0.305585D+01
               146           147           148           149           150 
      1   0.305638D+01  0.255751D+01  0.447034D+01  0.667141D+00 -0.139455D+01
      2  -0.600920D+01 -0.961937D+01 -0.713200D+01 -0.125469D+01 -0.669829D+01
      3   0.295281D+01  0.706185D+01  0.266166D+01  0.587547D+00  0.809285D+01
      4   0.530670D+01  0.711232D+00  0.467628D+01  0.411192D+01  0.206190D+01
      5   0.557287D+01  0.141992D+02  0.916307D+01  0.606725D+01  0.912275D+01
      6   0.582143D+01  0.321275D+01  0.513970D+01  0.763225D+01  0.548710D+01
               151           152           153 
      1   0.262253D+01  0.131227D-01 -0.272406D+01
      2  -0.812234D+01 -0.433100D+01 -0.106078D+02
      3   0.549981D+01  0.431788D+01  0.133318D+02
      4   0.288071D+00  0.131443D+01  0.191906D+01
      5   0.122939D+02  0.573564D+01  0.113071D+02
      6   0.345549D+01  0.538883D+01  0.319334D+01
 Leave Link  716 at Thu Jan 27 11:58:41 2022, MaxMem=  5368709120 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.666948D+02  0.236819D-02  0.459123D-02
      2   0.236819D-02  0.666918D+02  0.457507D-02
      3   0.459123D-02  0.457507D-02  0.667046D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.498498D-03 -0.775470D-02 -0.588021D-02
      2   0.512963D-02  0.127804D-02  0.984258D-02
      3  -0.337770D-02 -0.257091D-02 -0.770889D-03
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.376819D+00  0.176266D-01  0.135261D+01
      2   0.172847D+01 -0.106387D+01 -0.491460D+00
      3  -0.135165D+01  0.104625D+01 -0.861151D+00
      4   0.206161D-01  0.174710D+01  0.183600D+01
      5   0.136367D+01  0.183857D+01 -0.132212D+01
      6   0.184533D+01 -0.487273D+00  0.104681D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    51 ND12= 1 LenFil=    1839:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.106575D+01  0.637128D-01  0.404394D+01  0.869195D-01  0.510857D+01
      2   0.637128D-01  0.509317D+01  0.540504D+01  0.510857D+01 -0.311879D+01
      3   0.404394D+01  0.540504D+01 -0.392927D+01  0.542048D+01 -0.149001D+01
                 6             7             8             9            10 
      1   0.542048D+01  0.399393D+01  0.544267D+01 -0.401466D+01 -0.651143D+00
      2  -0.149001D+01  0.544267D+01 -0.152802D+01  0.306682D+01 -0.565017D-01
      3   0.311678D+01 -0.401466D+01  0.306682D+01 -0.259667D+01 -0.275675D+01
                11            12            13            14            15 
      1  -0.565017D-01 -0.275675D+01  0.199276D+00 -0.466817D+01 -0.404731D+01
      2  -0.365309D+01 -0.406102D+01 -0.466817D+01  0.149283D+01  0.194386D+01
      3  -0.406102D+01  0.339008D+01 -0.404731D+01  0.194386D+01 -0.201539D+01
                16            17            18            19            20 
      1  -0.362993D+01 -0.403695D+01  0.239392D+01  0.222706D+01  0.257465D+00
      2  -0.403695D+01  0.107816D+01 -0.226205D+01  0.257465D+00 -0.410905D+01
      3   0.239392D+01 -0.226205D+01  0.322028D+01 -0.262104D+01 -0.428543D+01
                21            22            23            24            25 
      1  -0.262104D+01 -0.589610D+00 -0.320330D+01 -0.428654D+01 -0.318454D+01
      2  -0.428543D+01 -0.320330D+01  0.363907D+01  0.129852D+01 -0.423739D+01
      3   0.258211D+01 -0.428654D+01  0.129852D+01 -0.238165D+01  0.346544D+01
                26            27            28            29            30 
      1  -0.423739D+01  0.346544D+01  0.208130D+01 -0.880994D+00 -0.307209D+01
      2   0.669492D+00 -0.150352D+01 -0.880994D+00 -0.433158D+01 -0.406206D+01
      3  -0.150352D+01  0.307093D+01 -0.307209D+01 -0.406206D+01  0.282328D+01
                31            32            33            34            35 
      1   0.254201D+00 -0.370245D+01 -0.406800D+01 -0.267407D+01 -0.407090D+01
      2  -0.370245D+01  0.928855D+00  0.112364D+01 -0.407090D+01  0.150339D+01
      3  -0.406800D+01  0.112364D+01 -0.220783D+01  0.344354D+01 -0.331095D+01
                36            37            38            39            40 
      1   0.344354D+01 -0.344495D+00  0.495081D+00 -0.384654D+01 -0.118179D+00
      2  -0.331095D+01  0.495081D+00 -0.348815D+01 -0.413914D+01 -0.396253D+01
      3   0.101180D+01 -0.384654D+01 -0.413914D+01  0.332255D+01 -0.416337D+01
                41            42            43            44            45 
      1  -0.396253D+01 -0.416337D+01 -0.266693D+01 -0.412972D+01  0.288226D+01
      2   0.343218D+01  0.181807D+00 -0.412972D+01  0.129476D+01 -0.224874D+01
      3   0.181807D+00 -0.288495D+01  0.288226D+01 -0.224874D+01  0.551984D+00
                46            47            48            49            50 
      1  -0.694570D+00  0.434123D+00 -0.618879D+00  0.722998D+00  0.271220D+00
      2   0.434123D+00 -0.546543D+00  0.103917D+01  0.271220D+00  0.183587D+01
      3  -0.618879D+00  0.103917D+01 -0.226861D+01  0.372219D+00 -0.207368D+01
                51            52            53            54            55 
      1   0.372219D+00 -0.106165D+01  0.411297D+00 -0.363651D+00  0.319858D+01
      2  -0.207368D+01  0.411297D+00 -0.207359D+01  0.252493D+01 -0.178324D+01
      3   0.282621D+01 -0.363651D+00  0.252493D+01 -0.705317D+01 -0.102862D+01
                56            57            58            59            60 
      1  -0.178324D+01 -0.102862D+01 -0.328453D+01  0.282607D+01  0.176352D+01
      2   0.214833D+01  0.104011D+01  0.282607D+01 -0.446971D+01 -0.172754D+01
      3   0.104011D+01  0.880003D+00  0.176352D+01 -0.172754D+01 -0.193105D+01
                61            62            63            64            65 
      1  -0.689295D+00  0.955903D+00  0.897702D+00  0.494515D+01  0.239194D+01
      2   0.955903D+00 -0.110833D+01 -0.876253D+00  0.239194D+01  0.245363D+01
      3   0.897702D+00 -0.876253D+00 -0.169668D+01  0.817986D+00  0.722884D+00
                66            67            68            69            70 
      1   0.817986D+00  0.309804D+01  0.281994D+01  0.669452D+00  0.248303D+01
      2   0.722884D+00  0.281994D+01  0.309163D+01  0.365589D+00  0.142639D+01
      3   0.846139D+00  0.669452D+00  0.365589D+00  0.122839D+01  0.779757D+00
                71            72            73            74            75 
      1   0.142639D+01  0.779757D+00 -0.228753D+01  0.290429D+00 -0.160424D+01
      2   0.132031D+01  0.963656D+00  0.290429D+00 -0.283955D+00  0.650619D+00
      3   0.963656D+00  0.883943D+00 -0.160424D+01  0.650619D+00 -0.223844D+01
                76            77            78            79            80 
      1   0.137012D+01 -0.327473D+00  0.140607D+01 -0.219333D+01  0.583664D+00
      2  -0.327473D+00  0.813189D+00 -0.116551D+01  0.583664D+00 -0.145300D+01
      3   0.140607D+01 -0.116551D+01  0.242820D+01 -0.290965D+01  0.876793D+00
                81            82            83            84            85 
      1  -0.290965D+01 -0.609844D+01 -0.191713D+01  0.190606D+01 -0.120222D+01
      2   0.876793D+00 -0.191713D+01 -0.139600D+01  0.853715D+00 -0.104331D+01
      3  -0.639555D+01  0.190606D+01  0.853715D+00 -0.195077D+01  0.778420D+00
                86            87            88            89            90 
      1  -0.104331D+01  0.778420D+00  0.355472D+01  0.152659D+01 -0.205317D+01
      2  -0.153188D+01  0.445568D+00  0.152659D+01  0.138267D+01 -0.622483D+00
      3   0.445568D+00 -0.324958D+00 -0.205317D+01 -0.622483D+00  0.188148D+01
                91            92            93            94            95 
      1   0.103990D+01 -0.119812D+01 -0.216209D+00 -0.144532D+01  0.115519D+01
      2  -0.119812D+01  0.309517D+01  0.122996D+01  0.115519D+01 -0.740970D+01
      3  -0.216209D+00  0.122996D+01  0.816477D+00  0.550480D+00 -0.215081D+01
                96            97            98            99           100 
      1   0.550480D+00 -0.180416D+00  0.582386D+00 -0.481090D-02 -0.201773D+01
      2  -0.215081D+01  0.582386D+00 -0.165654D+01 -0.132249D+01  0.139821D+01
      3  -0.160719D+01 -0.481090D-02 -0.132249D+01 -0.149361D+01 -0.948672D+00
               101           102           103           104           105 
      1   0.139821D+01 -0.948672D+00  0.112894D+01 -0.101039D+01  0.106620D+01
      2  -0.109239D+01  0.112081D+01 -0.101039D+01  0.299919D+01 -0.172492D+01
      3   0.112081D+01 -0.153863D+01  0.106620D+01 -0.172492D+01  0.183796D+01
               106           107           108           109           110 
      1  -0.189305D+01  0.181009D+01 -0.192044D+01  0.207486D+01  0.176076D+01
      2   0.181009D+01 -0.336898D+01  0.255380D+01  0.176076D+01  0.365130D+01
      3  -0.192044D+01  0.255380D+01 -0.409985D+01  0.127052D+01  0.166288D+01
               111           112           113           114           115 
      1   0.127052D+01  0.146375D+01  0.173458D+01  0.984962D+00  0.126293D+01
      2   0.166288D+01  0.173458D+01  0.478377D+01  0.177125D+01  0.102741D+01
      3   0.138971D+01  0.984962D+00  0.177125D+01  0.176688D+01  0.566041D+00
               116           117           118           119           120 
      1   0.102741D+01  0.566041D+00 -0.548586D+01  0.604697D+00  0.296312D+01
      2   0.221925D+01  0.205068D+01  0.604697D+00 -0.965228D+00  0.289303D-01
      3   0.205068D+01  0.200579D+01  0.296312D+01  0.289303D-01 -0.282503D+01
               121           122           123           124           125 
      1  -0.920143D+00 -0.317228D+00  0.768913D+00  0.324994D+01 -0.472019D-01
      2  -0.317228D+00 -0.309657D+00  0.400345D+00 -0.472019D-01  0.968251D+00
      3   0.768913D+00  0.400345D+00 -0.459900D+00 -0.277981D+01  0.614430D+00
               126           127           128           129           130 
      1  -0.277981D+01  0.241697D+01 -0.212481D+01  0.479057D+00 -0.240188D+01
      2   0.614430D+00 -0.212481D+01  0.290762D+01  0.154963D+00  0.300060D+01
      3   0.326497D+01  0.479057D+00  0.154963D+00  0.522330D+00  0.886921D-01
               131           132           133           134           135 
      1   0.300060D+01  0.886921D-01 -0.462600D+00  0.851911D+00  0.178205D+00
      2  -0.667938D+01  0.373670D+00  0.851911D+00 -0.130138D+01 -0.526301D+00
      3   0.373670D+00 -0.120442D+01  0.178205D+00 -0.526301D+00 -0.411311D+00
               136           137           138           139           140 
      1  -0.316791D+01 -0.962397D+00  0.262738D+01 -0.662014D+00 -0.409517D+00
      2  -0.962397D+00 -0.122877D+01  0.153025D+01 -0.409517D+00 -0.133409D+01
      3   0.262738D+01  0.153025D+01 -0.413056D+01  0.848298D+00  0.113201D+01
               141           142           143           144           145 
      1   0.848298D+00  0.210760D+01  0.888389D+00 -0.218852D+01  0.382961D+01
      2   0.113201D+01  0.888389D+00  0.110457D+01 -0.114759D+01  0.122677D+01
      3  -0.881809D+00 -0.218852D+01 -0.114759D+01  0.479240D+01  0.260497D+01
               146           147           148           149           150 
      1   0.122677D+01  0.260497D+01  0.229967D+01  0.172820D+01  0.184751D+01
      2   0.174553D+01  0.110833D+01  0.172820D+01  0.183661D+01  0.129620D+01
      3   0.110833D+01  0.230863D+01  0.184751D+01  0.129620D+01  0.269473D+01
               151           152           153 
      1   0.198367D+01  0.101545D+01  0.162785D+01
      2   0.101545D+01  0.948972D+00  0.116927D+01
      3   0.162785D+01  0.116927D+01  0.306326D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.107136D-01  0.343633D-02  0.333578D-02  0.128726D-01 -0.853846D-02
      2  -0.800793D-02  0.476242D-02  0.466656D+01 -0.725529D-03 -0.108347D-02
      3  -0.304253D-01 -0.467744D+01 -0.148934D-01  0.466328D+01 -0.202118D-01
                 6             7             8             9            10 
      1  -0.467145D+01  0.180733D-01  0.464416D+01 -0.758298D-02  0.111338D+01
      2   0.352163D-02 -0.464359D+01 -0.797731D-02  0.944426D-02 -0.649911D+01
      3  -0.136610D-01  0.387770D-02 -0.338064D-02 -0.924012D-02 -0.862186D+00
                11            12            13            14            15 
      1   0.643223D+01  0.351227D+01  0.794463D+01 -0.180987D+01 -0.399136D+01
      2  -0.587246D+01  0.315547D+01 -0.548323D+01 -0.256418D+01 -0.749686D+01
      3   0.412099D+01  0.476106D+01  0.942276D+01 -0.309309D+01 -0.538432D+01
                16            17            18            19            20 
      1   0.402316D+01  0.772894D+00  0.707498D+00 -0.308740D+01 -0.191086D+01
      2  -0.328383D+01 -0.795737D+01  0.904668D+01  0.605819D+01  0.584651D+01
      3   0.431501D+01 -0.380244D+01  0.393801D+01 -0.387288D+01 -0.691517D+01
                21            22            23            24            25 
      1   0.700760D+01 -0.288327D+01 -0.270616D+01 -0.517637D+01  0.827603D+01
      2  -0.364746D+01  0.492375D+01 -0.409493D+01 -0.141727D+01 -0.896725D+01
      3  -0.276046D+01 -0.949447D+00  0.945023D+01  0.697661D+01 -0.182827D+01
                26            27            28            29            30 
      1   0.118600D+00  0.579513D+01  0.425481D+01  0.440688D+01 -0.680085D+01
      2  -0.272997D+01 -0.201574D+01  0.113425D+01  0.436592D+01  0.418913D+00
      3   0.595493D+01 -0.553975D+01  0.413166D+01 -0.811997D+01 -0.862120D+01
                31            32            33            34            35 
      1   0.479461D+01 -0.220136D+01  0.329612D+01 -0.806906D+01  0.911177D+01
      2   0.368423D+01  0.726439D+00  0.439547D+01 -0.386047D+01  0.565383D+01
      3  -0.177307D+01 -0.657429D+01 -0.552337D+01 -0.783011D+01 -0.510005D+01
                36            37            38            39            40 
      1  -0.208070D+01 -0.228036D+01 -0.891015D+01 -0.372721D+01 -0.984145D+01
      2  -0.187062D+01 -0.701165D+00 -0.434257D+01  0.109650D+02 -0.316926D+01
      3   0.241794D+01  0.626105D+00 -0.551087D-01  0.662290D+01  0.430716D+01
                41            42            43            44            45 
      1   0.676653D+01 -0.504746D+01 -0.420498D+01  0.114792D+01 -0.446149D+01
      2   0.593067D+01  0.453516D+01  0.494747D+01  0.502932D+01 -0.517922D+01
      3   0.196351D+00  0.391058D+01  0.539529D+01  0.291884D+01 -0.827424D+00
                46            47            48            49            50 
      1  -0.299758D+00  0.920030D+00  0.117457D+00 -0.401560D+00 -0.218979D+01
      2  -0.265797D+01  0.166747D+01 -0.221305D+01  0.278164D+01 -0.232318D+01
      3  -0.136009D+01 -0.780149D-01 -0.137434D+01  0.145950D+01 -0.191788D+01
                51            52            53            54            55 
      1  -0.217927D+00 -0.414148D+00  0.415904D+01  0.747301D+00  0.242050D+01
      2   0.435140D+01 -0.517020D+01  0.412878D+01 -0.957160D+01  0.247852D+01
      3   0.270537D+01 -0.228383D+01  0.282432D+01 -0.372370D+01  0.255075D+01
                56            57            58            59            60 
      1  -0.374998D+01 -0.710655D+00 -0.340458D+01  0.668990D+01 -0.537579D-01
      2  -0.508985D+00  0.170465D+01 -0.203908D+01  0.895781D+00 -0.197379D+01
      3  -0.564774D+01 -0.189620D+01 -0.225448D+01  0.871666D+01  0.251582D+01
                61            62            63            64            65 
      1  -0.152101D+01  0.279545D+01  0.904530D+00 -0.309024D+01 -0.287766D+01
      2  -0.882334D+00  0.109186D+00 -0.158225D+01  0.600095D+01  0.397554D+01
      3  -0.136173D+01  0.264710D+01  0.142464D+01 -0.379076D+00 -0.477889D+01
                66            67            68            69            70 
      1  -0.250403D+01 -0.317738D+01 -0.295998D+01 -0.300119D+01 -0.160563D+01
      2   0.462932D+01  0.407335D+01  0.365244D+01  0.419671D+01  0.211875D+01
      3  -0.896681D+00 -0.694961D+00 -0.415384D+01 -0.455103D+00 -0.157381D+00
                71            72            73            74            75 
      1  -0.766003D+00 -0.220731D+01 -0.195213D+01  0.200608D+01 -0.321762D+01
      2   0.272296D+01  0.310448D+01 -0.838727D+00 -0.633929D+00  0.290443D+01
      3  -0.205247D+01 -0.112648D+01  0.233987D+01 -0.203746D+01  0.257323D+01
                76            77            78            79            80 
      1   0.136615D+01 -0.305225D+01  0.233773D+01 -0.354652D+01  0.543651D+01
      2   0.574406D+00  0.120528D+01 -0.208730D+01 -0.117352D+01 -0.869976D+00
      3  -0.417351D+00  0.195051D+01 -0.256338D+01  0.258371D+01 -0.382576D+01
                81            82            83            84            85 
      1  -0.719105D+01  0.381221D+01  0.115737D+01 -0.399625D+01  0.171879D+01
      2   0.594949D+01 -0.615861D+01 -0.243643D+01  0.693864D+01 -0.200934D+01
      3   0.442485D+01  0.506670D+01 -0.205704D+01 -0.136379D+01  0.150084D+01
                86            87            88            89            90 
      1   0.120259D+01 -0.176353D+01 -0.316862D+01  0.484242D-01  0.323431D+01
      2  -0.122322D+01  0.170364D+01  0.342698D+01  0.146990D+01 -0.535476D+01
      3  -0.110853D+01 -0.512233D+00 -0.261431D+01  0.134969D+01  0.170584D+01
                91            92            93            94            95 
      1   0.828753D+00 -0.143822D+01  0.101135D+01 -0.534261D+00  0.429840D+01
      2   0.161648D+01 -0.206247D+01  0.200484D+00 -0.291862D+01  0.359486D+01
      3  -0.388499D+01  0.330063D+01  0.123690D+01  0.656499D+01 -0.922417D+01
                96            97            98            99           100 
      1  -0.291033D+01 -0.546456D+00  0.119543D+01 -0.118765D+01  0.189541D+01
      2   0.171082D+01 -0.121935D+01  0.182574D+01  0.126647D+01  0.816314D+00
      3  -0.305117D+01  0.167899D+01 -0.277518D+01 -0.129923D+01 -0.225576D+01
               101           102           103           104           105 
      1  -0.173128D+01  0.390118D+01 -0.231214D+01  0.301638D+01 -0.560438D+01
      2  -0.152947D+01  0.312483D+01 -0.743411D+00  0.198051D+01 -0.294070D+01
      3  -0.243789D+00 -0.348771D+00  0.251020D+01  0.140505D+01  0.344221D+00
               106           107           108           109           110 
      1   0.340466D+01 -0.249814D+01  0.895752D+01 -0.123942D+01 -0.594308D-02
      2   0.952981D-01 -0.258077D+01  0.545211D+01 -0.292630D+01 -0.193409D+01
      3  -0.255328D+01 -0.105449D+01 -0.826412D+00  0.616040D+01  0.345994D+01
               111           112           113           114           115 
      1  -0.255849D+01 -0.926073D+00  0.167857D+00 -0.410261D+01 -0.432239D+00
      2  -0.177874D+00 -0.259904D+01 -0.238797D+01 -0.131925D+01 -0.253963D+01
      3   0.316905D+01  0.635328D+01  0.580464D+01  0.330414D+01  0.418486D+01
               116           117           118           119           120 
      1  -0.508220D+00 -0.279059D+01 -0.437185D+01 -0.213177D+01  0.467459D+01
      2  -0.198080D+01 -0.117649D+01  0.116668D+01 -0.376645D+00  0.351788D+01
      3   0.301502D+01  0.242926D+01 -0.763614D+01 -0.287715D+01  0.473548D+01
               121           122           123           124           125 
      1  -0.973024D+00 -0.119051D+01 -0.101619D+00  0.410618D+01  0.178992D+01
      2   0.800382D-01 -0.226472D+00  0.336437D+00 -0.973470D+00 -0.411839D+00
      3  -0.398900D+00 -0.132346D+01  0.119963D+01  0.524445D+01  0.251025D+01
               126           127           128           129           130 
      1  -0.442878D+01 -0.263827D+01  0.481245D+01  0.205711D+01  0.458504D+01
      2  -0.268870D+01 -0.288680D+01  0.313192D+01  0.134201D+01  0.370107D+01
      3  -0.371036D+01 -0.158195D+01 -0.179843D+01 -0.510869D+00  0.268148D+01
               131           132           133           134           135 
      1  -0.943160D+01 -0.390274D+01  0.103932D+01 -0.109541D+01 -0.185405D+01
      2  -0.438416D+01 -0.246015D+01 -0.227945D+00 -0.128232D+01 -0.986997D+00
      3   0.303207D+01 -0.211150D+00  0.315648D+00  0.399705D+00  0.248021D+00
               136           137           138           139           140 
      1   0.709334D+00 -0.205570D+01 -0.149781D+01  0.245730D+00 -0.144152D+01
      2   0.818890D+01  0.200124D+01 -0.397242D+01  0.226172D+01  0.110119D+01
      3   0.384616D+01 -0.561137D+00 -0.270966D+01  0.178137D+01  0.595160D+00
               141           142           143           144           145 
      1  -0.311395D+00 -0.429867D+00  0.283354D+01  0.243327D+01  0.391431D+01
      2  -0.179863D+01 -0.727659D+01 -0.214842D+01  0.529886D+01 -0.478083D+01
      3  -0.132881D+01 -0.311097D+01 -0.481070D+00  0.258359D+01 -0.285954D+01
               146           147           148           149           150 
      1   0.507309D+01  0.272803D+01  0.378314D+01  0.484827D+01  0.186542D+01
      2  -0.129467D+01 -0.200546D+00 -0.311751D+01 -0.188198D+01  0.260787D+00
      3  -0.438498D+01 -0.260359D+01 -0.140408D+01 -0.373381D+01 -0.191019D+01
               151           152           153 
      1   0.307250D+01  0.416489D+01  0.343148D+01
      2  -0.372290D+01 -0.971643D+00  0.295845D+00
      3  -0.198194D+01 -0.252501D+01 -0.210957D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.405469D+01 -0.323072D+01  0.293969D+01 -0.326392D+01 -0.151058D+01
      2  -0.159653D+01  0.346984D+01 -0.144497D+01  0.347846D+01  0.962980D+00
      3  -0.245816D+01 -0.239122D+00 -0.149472D+01 -0.214544D+00  0.547603D+00
      4  -0.334474D+01 -0.326154D+01 -0.980789D+00 -0.328799D+01  0.351864D+01
      5   0.302546D+01 -0.942779D+00 -0.415027D+01 -0.937547D+00 -0.142009D+01
      6  -0.973315D+00 -0.137812D+01 -0.327129D+00 -0.142578D+01 -0.415329D+01
                 6             7             8             9            10 
      1  -0.960204D+00  0.304284D+01 -0.920042D+00 -0.244832D+01 -0.513528D+01
      2  -0.414159D+01 -0.138958D+01 -0.418686D+01  0.608117D+00 -0.440840D+01
      3   0.510179D+01 -0.165326D+01  0.510690D+01  0.184020D+01  0.954368D+01
      4  -0.144450D+01 -0.951921D+00 -0.133991D+01 -0.189526D+00 -0.128771D+01
      5  -0.181302D+00 -0.424119D+01 -0.182449D+00 -0.158507D+01 -0.645934D+01
      6  -0.119358D+01 -0.186499D+00 -0.118964D+01  0.509514D+01 -0.439887D+01
                11            12            13            14            15 
      1  -0.434418D+01 -0.232353D+01 -0.463545D+01 -0.852161D+01 -0.145618D+02
      2  -0.650683D+01  0.383882D+01 -0.530256D+01  0.540864D+01  0.158014D+01
      3   0.108510D+02 -0.151529D+01  0.993801D+01  0.311297D+01  0.129817D+02
      4  -0.127643D+02 -0.103107D+02 -0.137310D+02  0.260790D+01  0.170196D+01
      5  -0.895070D+01  0.668898D+01 -0.983374D+01  0.674491D+01  0.316536D+01
      6   0.437899D+01  0.901466D+01  0.486113D+01 -0.400891D+01 -0.695612D+01
                16            17            18            19            20 
      1  -0.270622D+01 -0.147357D+02  0.142773D+02 -0.846007D+01 -0.923603D+01
      2   0.326719D+01  0.240500D+01 -0.179950D+01  0.260586D+01  0.666361D+01
      3  -0.560970D+00  0.123307D+02 -0.124778D+02  0.585422D+01  0.257242D+01
      4  -0.114937D+02  0.508089D+00 -0.846513D+00 -0.366379D+01  0.208425D+01
      5   0.697374D+01  0.247561D+01 -0.158070D+01  0.573909D+01  0.760523D+01
      6   0.733726D+01 -0.691475D+01  0.805191D+01  0.703266D+01  0.113943D+02
                21            22            23            24            25 
      1   0.562990D+01 -0.923211D+01  0.141715D+02  0.944507D+01  0.630857D+01
      2   0.910474D+01  0.525417D+01 -0.142065D+02 -0.113732D+02  0.803641D+01
      3  -0.147346D+02  0.397793D+01  0.349971D-01  0.192808D+01 -0.143450D+02
      4   0.114262D+02  0.307442D+01  0.393890D+01  0.508832D+01  0.122481D+02
      5  -0.590704D+01  0.783453D+01  0.446909D+01  0.851127D+01 -0.718131D+01
      6   0.245761D+00  0.101183D+02 -0.741105D+01 -0.135571D+01  0.181835D+00
                26            27            28            29            30 
      1   0.101125D+02 -0.549172D+01 -0.305737D+01  0.732294D+01  0.112638D+02
      2  -0.112637D+02  0.117305D+02  0.523897D+01 -0.968713D+01 -0.174663D+02
      3   0.115125D+01 -0.623881D+01 -0.218159D+01  0.236419D+01  0.620251D+01
      4   0.524044D+01  0.848984D+00  0.208848D+01 -0.279510D+00 -0.212881D+01
      5   0.701781D+01 -0.934824D+01  0.680141D+01  0.309542D+01 -0.105678D+02
      6  -0.507656D+00  0.120181D+01 -0.537275D+01 -0.139053D+02  0.446211D+01
                31            32            33            34            35 
      1   0.736157D+01  0.516717D+01  0.599794D+01  0.117360D+02  0.489102D+01
      2  -0.912356D+01 -0.143662D+01 -0.174047D+00 -0.171742D+02 -0.120530D+00
      3   0.176199D+01 -0.373056D+01 -0.582389D+01  0.543825D+01 -0.477049D+01
      4   0.255020D+00 -0.113377D+02 -0.118814D+02 -0.130458D+01 -0.128171D+02
      5   0.486345D+01 -0.717060D+01  0.926904D+00 -0.106575D+02  0.217743D+01
      6  -0.127817D+02  0.267953D+01 -0.893978D+01  0.515569D+01 -0.943000D+01
                36            37            38            39            40 
      1  -0.245453D+01  0.322181D+01  0.172355D+01 -0.104081D+02  0.198385D+01
      2  -0.272745D+01  0.393131D+01  0.144740D+02  0.256128D+01  0.140294D+02
      3   0.518198D+01 -0.715312D+01 -0.161975D+02  0.784678D+01 -0.160133D+02
      4   0.809332D+01 -0.160062D+01 -0.769834D+01 -0.182394D+00 -0.823825D+01
      5   0.451855D-02 -0.183019D+01 -0.300164D+01 -0.102002D+02 -0.405482D+01
      6   0.339016D+01  0.151805D+01 -0.372504D+01 -0.140711D+02 -0.413518D+01
                41            42            43            44            45 
      1  -0.354804D+01 -0.215489D+01 -0.112984D+02 -0.159957D+01 -0.395022D+00
      2  -0.730097D+01  0.427710D+01  0.389969D+01  0.350191D+01  0.287604D+01
      3   0.108490D+02 -0.212221D+01  0.739876D+01 -0.190235D+01 -0.248102D+01
      4   0.963291D+01  0.318201D+01 -0.677648D+00  0.505049D+01 -0.847291D+01
      5  -0.594918D+01 -0.129643D+02 -0.872570D+01 -0.120450D+02  0.874967D+01
      6   0.317888D+01  0.156034D+01 -0.130552D+02  0.140603D+01 -0.578918D+01
                46            47            48            49            50 
      1  -0.127137D+01  0.330827D+01 -0.576532D+01  0.299753D+01 -0.587175D+01
      2  -0.539550D+00 -0.106471D+01 -0.167061D+01 -0.912660D+00  0.242222D+01
      3   0.181092D+01 -0.224356D+01  0.743593D+01 -0.208487D+01  0.344953D+01
      4  -0.854186D+00  0.221001D+01 -0.146547D+00  0.379984D+01  0.221937D+01
      5   0.307505D+01 -0.688401D+00  0.285699D+01 -0.170432D+01 -0.266172D+01
      6  -0.178831D+01  0.304343D+01 -0.397593D+01  0.252401D+00 -0.868701D+01
                51            52            53            54            55 
      1   0.969006D+01 -0.443472D+01  0.925468D+01 -0.200461D+02  0.127885D+02
      2   0.336168D+00  0.120408D+01 -0.424072D+00 -0.103019D+02 -0.724377D+01
      3  -0.100262D+02  0.323064D+01 -0.883061D+01  0.303480D+02 -0.554472D+01
      4  -0.276808D+01 -0.737839D+00 -0.352162D+01  0.364810D+01 -0.779637D+01
      5   0.375184D+01  0.565309D+01  0.305999D+01 -0.913934D+01 -0.953478D+01
      6   0.116528D+02 -0.133149D+01  0.117836D+02 -0.154743D+02  0.469781D+01
                56            57            58            59            60 
      1  -0.570021D+01 -0.287165D+01 -0.915722D+01  0.295106D+01  0.135204D+01
      2   0.454826D+01  0.393787D+01  0.609017D+01  0.880266D+00 -0.402622D+01
      3   0.115195D+01 -0.106622D+01  0.306705D+01 -0.383132D+01  0.267418D+01
      4   0.107165D+02  0.407624D+01  0.121516D+02 -0.154890D+02 -0.501804D+01
      5   0.671857D+01  0.716461D+01  0.101921D+02 -0.761533D+01 -0.887568D+01
      6  -0.543618D+01 -0.352690D+01 -0.635550D+01  0.119284D+02  0.752723D+01
                61            62            63            64            65 
      1  -0.208407D+01  0.185554D+01 -0.131036D+01  0.221129D+02  0.896670D+01
      2   0.358894D+01 -0.281065D+01 -0.361954D+01 -0.612680D+01  0.117105D+01
      3  -0.150487D+01  0.955109D+00  0.492990D+01 -0.159861D+02 -0.101378D+02
      4   0.362638D+01 -0.357430D+01 -0.336742D+01  0.148781D+02  0.137140D+02
      5   0.671041D+01 -0.534172D+01 -0.649387D+01 -0.192019D+01 -0.537938D-01
      6  -0.369747D+01  0.650398D+01  0.289819D+01 -0.162021D+01 -0.295452D+01
                66            67            68            69            70 
      1   0.401759D+01  0.109843D+02  0.492965D+01  0.317205D+01  0.811123D+01
      2  -0.432879D-01  0.427868D+00  0.579188D+01  0.178088D+01 -0.205722D+01
      3  -0.397430D+01 -0.114122D+02 -0.107215D+02 -0.495293D+01 -0.605401D+01
      4   0.338896D+01  0.147963D+02  0.137547D+02  0.218457D+01  0.628909D+01
      5   0.483889D+01 -0.891867D+00 -0.106620D+01  0.372934D+01  0.337777D+01
      6   0.470485D+00 -0.259306D+01 -0.182926D+01  0.352345D+01  0.479019D+00
                71            72            73            74            75 
      1   0.323509D+01  0.115566D+01  0.719646D+01 -0.539481D+00  0.308978D+01
      2   0.224830D+01 -0.256735D+00 -0.787157D+01  0.167390D+01 -0.872123D+01
      3  -0.548339D+01 -0.898921D+00  0.675113D+00 -0.113442D+01  0.563145D+01
      4   0.549419D+01  0.347645D+01  0.144754D+01  0.303092D+01 -0.584350D+00
      5   0.249122D+01  0.447640D+01  0.954214D+01 -0.276013D+01  0.126690D+02
      6   0.220703D+01  0.121741D+01  0.289807D+00  0.306243D+00  0.221177D+01
                76            77            78            79            80 
      1  -0.260074D+01 -0.159886D+01 -0.336843D+00  0.408301D+01 -0.177467D+01
      2   0.349687D+01 -0.599144D+00  0.715911D+01 -0.101366D+02  0.589130D+01
      3  -0.896126D+00  0.219801D+01 -0.682227D+01  0.605363D+01 -0.411663D+01
      4   0.203084D+01 -0.362084D+01  0.259918D+01  0.381305D+00  0.384436D+01
      5  -0.581541D+01  0.298943D+01 -0.693736D+01  0.146008D+02 -0.320937D+01
      6   0.441444D+00 -0.256408D+01  0.324412D+01  0.224230D+01  0.504113D+01
                81            82            83            84            85 
      1  -0.318706D+01  0.256734D+02  0.561224D+01 -0.788859D+01  0.444780D+01
      2  -0.188809D+02 -0.792846D+01  0.153417D+01  0.583195D+00  0.143407D+01
      3   0.220680D+02 -0.177450D+02 -0.714641D+01  0.730540D+01 -0.588187D+01
      4   0.930422D-02  0.170728D+02  0.107629D+02 -0.587139D+01  0.908040D+01
      5   0.208719D+02 -0.399490D+01 -0.143224D+01  0.769619D+01 -0.115013D+01
      6   0.433536D+01 -0.387285D+01 -0.200965D+01  0.466141D+01 -0.240824D+01
                86            87            88            89            90 
      1   0.633557D+00 -0.195529D+01 -0.117908D+02 -0.200492D+01  0.471771D+01
      2   0.435309D+01 -0.966096D-01  0.265294D+01 -0.174813D+01 -0.318779D+01
      3  -0.498665D+01  0.205190D+01  0.913790D+01  0.375305D+01 -0.152991D+01
      4   0.625619D+01 -0.386920D+01 -0.926424D+01 -0.704475D+01  0.443826D+01
      5  -0.173018D+01  0.566482D+00  0.715143D+01  0.144979D+01 -0.670490D+01
      6  -0.222317D+00  0.324552D+01  0.425717D+01  0.310668D+01 -0.566047D+01
                91            92            93            94            95 
      1  -0.154613D+01  0.829347D+01  0.253689D+01  0.653232D+01 -0.219386D+02
      2   0.340079D+01 -0.104989D+02 -0.202613D+01 -0.599168D+01  0.321001D+02
      3  -0.185466D+01  0.220540D+01 -0.510763D+00 -0.540643D+00 -0.101615D+02
      4  -0.398169D+01  0.378945D+01  0.142946D+00  0.581197D+01  0.422307D+01
      5  -0.306777D+01  0.162322D+01  0.203561D+01  0.243645D+01 -0.314339D+00
      6   0.204821D+01 -0.634094D+01 -0.469619D+01 -0.313324D+01  0.174771D+02
                96            97            98            99           100 
      1  -0.801308D+01  0.117736D+01 -0.709401D+01 -0.464125D+01  0.449150D+01
      2   0.685893D+01 -0.172001D+01  0.615649D+01  0.176555D+01  0.204587D+00
      3   0.115415D+01  0.542650D+00  0.937525D+00  0.287570D+01 -0.469608D+01
      4   0.112210D+01  0.784411D-01  0.108343D+01  0.269409D+00 -0.848247D+01
      5   0.555531D+00  0.306141D+01 -0.250093D+00  0.147935D+01  0.329732D+01
      6   0.112086D+02 -0.179675D+01  0.989264D+01  0.647868D+01 -0.339901D+01
               101           102           103           104           105 
      1  -0.146351D+01  0.953316D+00 -0.124605D+01 -0.542591D+01  0.143558D+01
      2  -0.338371D+01  0.266131D+01 -0.332001D+01  0.132797D+02 -0.627031D+01
      3   0.484722D+01 -0.361463D+01  0.456607D+01 -0.785382D+01  0.483472D+01
      4   0.853017D+01 -0.522087D+01  0.795799D+01 -0.879699D+01  0.680417D+01
      5  -0.300807D+01  0.679227D+01 -0.260293D+01  0.406989D+01 -0.371633D+01
      6   0.458564D+01 -0.534616D+01  0.466944D+01 -0.754193D+01  0.992522D+01
               106           107           108           109           110 
      1   0.228955D+01  0.370025D+01 -0.260637D+01 -0.221351D+01 -0.884615D+01
      2   0.239735D+01 -0.103503D+02  0.275085D+01  0.388087D+01  0.132604D+02
      3  -0.468690D+01  0.665004D+01 -0.144480D+00 -0.166735D+01 -0.441427D+01
      4  -0.869605D+01  0.101006D+02 -0.766816D+01  0.893337D+01  0.719318D+01
      5   0.725069D+01 -0.481367D+01  0.923861D+01  0.298928D+01  0.171870D+01
      6  -0.605688D+01  0.114201D+02 -0.154813D+02  0.509116D+01  0.850020D+01
               111           112           113           114           115 
      1  -0.554117D+01 -0.632437D+01 -0.155687D+02 -0.782595D+01 -0.468944D+01
      2   0.410908D+01  0.800869D+01  0.234937D+02  0.736103D+01  0.383260D+01
      3   0.143208D+01 -0.168433D+01 -0.792500D+01  0.464911D+00  0.856843D+00
      4   0.376253D+01  0.732849D+01  0.486923D+01  0.297420D+01  0.416002D+01
      5   0.361312D+01  0.127390D+01  0.150505D+01  0.281862D-01  0.423084D+01
      6   0.684189D+01  0.557652D+01  0.125951D+02  0.109648D+02  0.355202D+01
               116           117           118           119           120 
      1  -0.862255D+01 -0.681647D+01  0.184141D+02  0.562904D+00 -0.715489D+01
      2   0.867724D+01  0.375159D+01 -0.133601D+02 -0.267929D+01  0.981737D+01
      3  -0.546941D-01  0.306488D+01 -0.505407D+01  0.211639D+01 -0.266248D+01
      4   0.276061D+01  0.140468D+01 -0.116603D+02  0.640272D+01  0.621644D+01
      5   0.459587D+00  0.119567D+01 -0.156232D+02  0.898252D+00  0.135053D+02
      6   0.116793D+02  0.956196D+01  0.661296D+01 -0.177473D+01 -0.694488D+01
               121           122           123           124           125 
      1   0.279350D+01  0.524878D+00 -0.120978D+01 -0.825265D+01 -0.170531D+01
      2  -0.301597D+01 -0.399423D+00  0.296393D+01  0.100434D+02  0.303792D+01
      3   0.222463D+00 -0.125455D+00 -0.175416D+01 -0.179075D+01 -0.133261D+01
      4   0.330725D+01  0.113101D+01 -0.108269D+01  0.725998D+01 -0.267389D+01
      5  -0.194975D+01 -0.172289D+01  0.165332D+01  0.135140D+02 -0.128464D+01
      6  -0.665000D+00 -0.240595D+00  0.280663D+01 -0.606645D+01  0.512861D+01
               126           127           128           129           130 
      1   0.184171D+01  0.489890D+01 -0.178728D+01 -0.362470D+00 -0.259234D+01
      2  -0.854580D+01  0.151656D+01 -0.750820D+01 -0.117652D+01 -0.700071D+01
      3   0.670409D+01 -0.641546D+01  0.929549D+01  0.153899D+01  0.959305D+01
      4  -0.586148D+01 -0.101108D+02  0.125132D+02 -0.377840D+00  0.132416D+02
      5  -0.127365D+02  0.458989D+01 -0.358730D+01  0.446130D+01 -0.480735D+01
      6   0.678248D+01 -0.391497D+01  0.634103D+01 -0.135147D+01  0.598631D+01
               131           132           133           134           135 
      1  -0.610686D+01  0.260770D+01 -0.110555D+01  0.368128D+00 -0.630614D+00
      2   0.230026D+02  0.139849D+01 -0.950835D+00  0.400097D+01  0.130666D+01
      3  -0.168957D+02 -0.400620D+01  0.205638D+01 -0.436910D+01 -0.676045D+00
      4  -0.177099D+02  0.553503D+00  0.230755D+01 -0.253596D+01 -0.152433D+01
      5   0.564366D+01 -0.224103D+01  0.248497D+01 -0.878047D+00 -0.127234D+01
      6  -0.130434D+02  0.631788D+01 -0.436463D+00  0.315624D+01  0.110847D+01
               136           137           138           139           140 
      1  -0.201374D+01 -0.369573D+01  0.933329D+01 -0.252059D+01 -0.341513D+01
      2  -0.419565D+01  0.541128D+00  0.555171D+01 -0.417421D+00  0.242440D+01
      3   0.620939D+01  0.315460D+01 -0.148850D+02  0.293801D+01  0.990734D+00
      4   0.632214D+01  0.444144D+01 -0.391633D+01  0.444008D+01  0.693099D+00
      5  -0.125316D+02 -0.280264D+01  0.110085D+02 -0.201564D+01 -0.183876D+01
      6  -0.500624D+01 -0.684682D+01  0.911895D+01 -0.354295D+01 -0.578480D+01
               141           142           143           144           145 
      1   0.470888D+01  0.698780D+01  0.502348D+01 -0.137102D+02  0.977153D+01
      2  -0.929475D+00  0.262520D+01 -0.686962D+00 -0.933168D+01 -0.119713D+02
      3  -0.377940D+01 -0.961300D+01 -0.433651D+01  0.230419D+02  0.219982D+01
      4  -0.220342D+01 -0.351292D+01 -0.188915D+01  0.382277D+01  0.204256D+01
      5   0.290504D+01  0.101974D+02  0.314029D+01 -0.845765D+01  0.159069D+02
      6   0.768608D+01  0.596877D+01  0.801964D+01 -0.109050D+02  0.305585D+01
               146           147           148           149           150 
      1   0.305638D+01  0.255751D+01  0.447034D+01  0.667141D+00 -0.139455D+01
      2  -0.600920D+01 -0.961937D+01 -0.713200D+01 -0.125469D+01 -0.669829D+01
      3   0.295281D+01  0.706185D+01  0.266166D+01  0.587547D+00  0.809285D+01
      4   0.530670D+01  0.711232D+00  0.467628D+01  0.411192D+01  0.206190D+01
      5   0.557287D+01  0.141992D+02  0.916307D+01  0.606725D+01  0.912275D+01
      6   0.582143D+01  0.321275D+01  0.513970D+01  0.763225D+01  0.548710D+01
               151           152           153 
      1   0.262253D+01  0.131227D-01 -0.272406D+01
      2  -0.812234D+01 -0.433100D+01 -0.106078D+02
      3   0.549981D+01  0.431788D+01  0.133318D+02
      4   0.288071D+00  0.131443D+01  0.191906D+01
      5   0.122939D+02  0.573564D+01  0.113071D+02
      6   0.345549D+01  0.538883D+01  0.319334D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.000000D+00      0.000000D+00      0.000000D+00
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.000000D+00      0.000000D+00      0.000000D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.633544D+02      0.938816D+01      0.104457D+02
   aniso      0.874521D-03      0.129591D-03      0.144189D-03
   xx         0.633546D+02      0.938818D+01      0.104458D+02
   yx         0.121158D-03      0.179538D-04      0.199763D-04
   yy         0.633541D+02      0.938811D+01      0.104457D+02
   zx         0.333036D-03      0.493509D-04      0.549102D-04
   zy        -0.264102D-03     -0.391358D-04     -0.435445D-04
   zz         0.633545D+02      0.938818D+01      0.104458D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.666970D+02      0.988348D+01      0.109969D+02
   aniso      0.166461D-01      0.246670D-02      0.274457D-02
   xx         0.666948D+02      0.988315D+01      0.109965D+02
   yx         0.236819D-02      0.350930D-03      0.390462D-03
   yy         0.666918D+02      0.988270D+01      0.109960D+02
   zx         0.459123D-02      0.680350D-03      0.756992D-03
   zy         0.457507D-02      0.677955D-03      0.754327D-03
   zz         0.667046D+02      0.988460D+01      0.109981D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -0.00006055         -0.00007651         -0.00001353
     6          0.26199269         -1.77261310          2.27711124
     6         -2.54545344          1.37771080          0.13617670
     6          0.13192761         -1.54554813         -2.44740821
     6          2.15152900          1.94045132          0.03412953
     1         -1.25041321         -3.17768910          2.29985279
     1          0.17452148         -0.71848910          4.05005427
     1          2.06294524         -2.78069275          2.22733012
     1         -4.11526103          0.03703403          0.11598679
     1         -2.78261766          2.65548456         -1.46793617
     1         -2.69011411          2.49703037          1.86485581
     1         -1.38323256         -2.94587508         -2.52154326
     1          1.93017178         -2.54907297         -2.59353807
     1         -0.04999629         -0.32654091         -4.10361464
     1          2.10266954          3.07012063          1.76144202
     1          2.01060400          3.23088350         -1.57120850
     1          3.99110565          1.00827626         -0.06164626

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.000000D+00      0.000000D+00      0.000000D+00
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.000000D+00      0.000000D+00      0.000000D+00

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.633544D+02      0.938816D+01      0.104457D+02
   aniso      0.874521D-03      0.129591D-03      0.144189D-03
   xx         0.633548D+02      0.938821D+01      0.104458D+02
   yx         0.188283D-03      0.279007D-04      0.310437D-04
   yy         0.633544D+02      0.938816D+01      0.104457D+02
   zx         0.194597D-03      0.288364D-04      0.320848D-04
   zy        -0.158742D-03     -0.235231D-04     -0.261730D-04
   zz         0.633540D+02      0.938810D+01      0.104457D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.666970D+02      0.988348D+01      0.109969D+02
   aniso      0.166461D-01      0.246670D-02      0.274457D-02
   xx         0.667062D+02      0.988483D+01      0.109984D+02
   yx         0.316408D-03      0.468869D-04      0.521687D-04
   yy         0.666909D+02      0.988257D+01      0.109958D+02
   zx        -0.500885D-02     -0.742235D-03     -0.825848D-03
   zy        -0.150693D-02     -0.223303D-03     -0.248459D-03
   zz         0.666941D+02      0.988305D+01      0.109964D+02

 ----------------------------------------------------------------------
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 I KNOW YOU BELIEVE YOU UNDERSTAND WHAT YOU THINK I SAID,
 BUT I AM NOT SURE YOU REALIZE THAT WHAT YOU HEARD IS NOT WHAT I MEANT.
 Job cpu time:       0 days  1 hours 10 minutes 48.5 seconds.
 Elapsed time:       0 days  0 hours  8 minutes 52.7 seconds.
 File lengths (MBytes):  RWF=    126 Int=      0 D2E=      0 Chk=      5 Scr=      1
 Normal termination of Gaussian 16 at Thu Jan 27 11:58:41 2022.
